| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 33.8 | Very low | 246 Ų | 246 | 169.6 Ų | 169.6 | 100% | 1.212 | 85% | 0.851 | S | S | * | * | 0 | 114.1 | 0 | -79.5 | 164.6 | 80.8 | 0 | 0 | 107.9 | |||||
| 2 | L | 29.9 | Very low | 33.6 | Very low | 183 Ų | 183 | 165 Ų | 165 | 96% | 0.958 | 84% | 0.844 | S | S | * | * | trans | -137.1 | 113.3 | 178.7 | -110.5 | 152.4 | 0 | 0 | 0 | 109.3 | ||||
| 3 | L | 33.4 | Very low | 33.2 | Very low | 170 Ų | 170 | 158.3 Ų | 158.3 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | trans | -150 | 144.1 | 171.2 | -95.3 | 165.6 | 0 | 0 | 0 | 102.9 | ||||
| 4 | S | 34.5 | Very low | 33.2 | Very low | 79 Ų | 79 | 155.9 Ų | 155.9 | 55% | 0.552 | 84% | 0.841 | S | S | * | * | cis | -167.6 | 168.7 | -0.8 | 83.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | K | 35.1 | Very low | 33.2 | Very low | 193 Ų | 193 | 161.8 Ų | 161.8 | 84% | 0.839 | 85% | 0.846 | S | S | * | * | trans | 76 | 121.1 | 151.6 | -72.4 | 170.5 | -172.5 | -177.1 | 0 | 119.6 | ||||
| 6 | L | 32.4 | Very low | 33.3 | Very low | 176 Ų | 176 | 165.9 Ų | 165.9 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | trans | -129 | 141.7 | 143.7 | -115.6 | 103.5 | 0 | 0 | 0 | 109.9 | ||||
| 7 | R | 38.9 | Very low | 33.4 | Very low | 240 Ų | 240 | 162.1 Ų | 162.1 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | trans | -145.3 | 116.2 | -180 | -159.9 | -163.6 | -156.3 | -159.1 | 5.4 | 107.2 | ||||
| 8 | T | 35.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 157.7 Ų | 157.7 | 72% | 0.724 | 85% | 0.849 | S | S | * | * | trans | -171.3 | 148.7 | 164.9 | -18.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 9 | T | 33.4 | Very low | 33.3 | Very low | 130 Ų | 130 | 161 Ų | 161 | 80% | 0.798 | 86% | 0.855 | S | S | * | * | cis | -165.6 | 162.2 | 35.2 | -37.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 10 | I | 33 | Very low | 33.2 | Very low | 140 Ų | 140 | 157 Ų | 157 | 72% | 0.718 | 85% | 0.854 | S | S | * | * | trans | -107.6 | 166.9 | 177.4 | -61.5 | 172.1 | 0 | 0 | 0 | 110 | ||||
| 11 | F | 32.1 | Very low | 33.1 | Very low | 191 Ų | 191 | 159.1 Ų | 159.1 | 84% | 0.838 | 86% | 0.855 | S | S | * | * | trans | 103.3 | 144.2 | 159.5 | -79.2 | -93.7 | 0 | 0 | 0 | 115 | ||||
| 12 | C | 31.1 | Very low | 33.1 | Very low | 114 Ų | 114 | 156.1 Ų | 156.1 | 77% | 0.77 | 84% | 0.838 | S | S | * | * | cis | 177.6 | 151.6 | -21.5 | -178.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 13 | G | 28.3 | Very low | 33.3 | Very low | 78 Ų | 78 | 155.1 Ų | 155.1 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 171.7 | 103.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 14 | C | 33.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -94.7 | 151.8 | 170.1 | -78.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | R | 32.1 | Very low | 33.1 | Very low | 245 Ų | 245 | 155.7 Ų | 155.7 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | trans | -168.7 | 116.9 | 137.2 | -105.2 | 175.8 | -157.3 | -158.6 | 6.3 | 113.3 | ||||
| 16 | Y | 35.5 | Very low | 32.9 | Very low | 228 Ų | 228 | 154 Ų | 154 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | 10.2 | 138 | 145 | -85 | -99.3 | 0 | 0 | 0 | 122.7 | ||||
| 17 | A | 34.2 | Very low | 33 | Very low | 100 Ų | 100 | 154 Ų | 154 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | 169.6 | 143.8 | 91.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 18 | G | 31.9 | Very low | 32.9 | Very low | 84 Ų | 84 | 153.9 Ų | 153.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | 151.1 | 102 | 161 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 19 | K | 34.4 | Very low | 33.3 | Very low | 220 Ų | 220 | 154.3 Ų | 154.3 | 96% | 0.957 | 83% | 0.829 | S | S | * | * | trans | -83.5 | 162.1 | -178.4 | -69.2 | 170.3 | 170.6 | 176.2 | 0 | 113.1 | ||||
| 20 | G | 30.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 156.9 Ų | 156.9 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | 158.6 | 107.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 21 | F | 32.3 | Very low | 33.7 | Very low | 201 Ų | 201 | 158.4 Ų | 158.4 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | trans | -92.1 | 148 | -178.2 | -112.4 | -102.5 | 0 | 0 | 0 | 112.6 | ||||
| 22 | Q | 33 | Very low | 33.8 | Very low | 184 Ų | 184 | 159.7 Ų | 159.7 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -171.8 | 98.6 | 139.7 | -108.2 | -174.7 | -19 | 0 | 0 | 108.8 | ||||
| 23 | Q | 33.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 162.1 Ų | 162.1 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | 75.5 | 107 | 88.6 | -104.3 | -177 | -9.4 | 0 | 0 | 117.7 | |||||
| 24 | N | 31.5 | Very low | 34.1 | Very low | 151 Ų | 151 | 169.9 Ų | 169.9 | 81% | 0.807 | 85% | 0.845 | S | S | * | * | trans | 41.8 | 130.2 | 138.9 | -80.8 | -5.3 | 0 | 0 | 0 | 122.9 | ||||
| 25 | S | 32.2 | Very low | 34.2 | Very low | 110 Ų | 110 | 171.5 Ų | 171.5 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | -166.7 | 122.9 | 120.4 | 39.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 26 | H | 31.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 166.6 Ų | 166.6 | 74% | 0.736 | 84% | 0.842 | S | S | * | * | trans | 43.3 | 114.4 | 140 | -67.2 | -77.4 | 0 | 0 | 0 | 124.1 | ||||
| 27 | Q | 33.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 167 Ų | 167 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | 47.1 | 123.1 | 116.7 | -70.9 | 170.5 | -31.9 | 0 | 0 | 122.2 | |||||
| 28 | R | 37.6 | Very low | 34.9 | Very low | 237 Ų | 237 | 173.5 Ų | 173.5 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | -40.1 | 167.2 | 159.6 | -79.3 | -178.8 | 177.2 | -167 | -0.1 | 115.7 | ||||
| 29 | P | 44.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 176.1 Ų | 176.1 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | cis | -154.4 | -166.5 | 42.1 | 40.3 | -14.7 | 0 | 0 | 0 | 118.8 | ||||
| 30 | Q | 39.8 | Very low | 35 | Very low | 184 Ų | 184 | 175.3 Ų | 175.3 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -61.6 | 149.1 | -172.3 | -59.6 | 170.7 | -14.5 | 0 | 0 | 117.7 | ||||
| 31 | L | 34.1 | Very low | 35.3 | Very low | 171 Ų | 171 | 175.5 Ų | 175.5 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -159.7 | 97.6 | 153.6 | -100.5 | 153.6 | 0 | 0 | 0 | 107.9 | ||||
| 32 | R | 33.3 | Very low | 35.6 | Very low | 219 Ų | 219 | 171.4 Ų | 171.4 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | 49.1 | 128.4 | 94.8 | -93.3 | -169.8 | -177.9 | -137.6 | 1.4 | 116.2 | |||||
| 33 | Q | 34.5 | Very low | 36.1 | Very low | 164 Ų | 164 | 169.3 Ų | 169.3 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | 77.7 | 93.7 | 155.4 | -67.3 | 175 | -16 | 0 | 0 | 118.3 | ||||
| 34 | W | 31.7 | Very low | 36.4 | Very low | 241 Ų | 241 | 167.7 Ų | 167.7 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | -160.9 | 146.3 | 127.8 | -122.5 | 79.2 | 0 | 0 | 0 | 109.7 | |||||
| 35 | L | 36.8 | Very low | 37 | Very low | 158 Ų | 158 | 166.4 Ų | 166.4 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 92.5 | 56.2 | -176.2 | -54.6 | 166.6 | 0 | 0 | 0 | 116.5 | ||||
| 36 | V | 41 | Very low | 37.7 | Very low | 142 Ų | 142 | 169.9 Ų | 169.9 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -97.8 | 143.2 | 143.3 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 37 | R | 38 | Very low | 38.5 | Very low | 236 Ų | 236 | 166.6 Ų | 166.6 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | 88.2 | 91.9 | -179.3 | -68 | -174.5 | 172.2 | -163.8 | -3 | 116.6 | ||||
| 38 | R | 36.6 | Very low | 39.4 | Very low | 238 Ų | 238 | 160.9 Ų | 160.9 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | S | Bend | -168.6 | 130.9 | 113.7 | -108.2 | 170.2 | 172.7 | 166.3 | -2.2 | 111.7 | |||
| 39 | N | 33.2 | Very low | 40.3 | Very low | 138 Ų | 138 | 155.3 Ų | 155.3 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | 68 | 79.1 | 163.4 | -63.7 | 3 | 0 | 0 | 0 | 118.7 | S41 | N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.46Å | ||
| 40 | Q | 36.1 | Very low | 40.7 | Very low | 204 Ų | 204 | 155.2 Ų | 155.2 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 95.1 | 139.1 | -80.6 | 176.6 | -23.2 | 0 | 0 | 108.1 | ||||
| 41 | S | 36.8 | Very low | 41.3 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | -96.1 | 102 | 157.6 | -52 | 0 | 0 | 0 | 0 | 105.8 | N39 I43 | N39-S41 VanDerWaalsContact C-N 3.33Å; N39-S41 PolarHBondContact O-N 3.46Å; S41-I43 VanDerWaalsContact C-N 3.26Å; S41-I43 PolarHBondContact O-N 3.2Å | ||
| 42 | S | 38.5 | Very low | 42.2 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 90.5 | 169 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | T44 | S42-T44 PolarHBondContact O-N 3.07Š| ||
| 43 | I | 42.1 | Very low | 43 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 100.6 | 161.2 | -60.5 | 176.7 | 0 | 0 | 0 | 105 | S41 V45 | S41-I43 VanDerWaalsContact C-N 3.26Å; S41-I43 PolarHBondContact O-N 3.2Å; I43-V45 VanDerWaalsContact C-N 3.28Å; I43-V45 HydrophobicContact CG2-CG2 4.24Å; I43-V45 PolarHBondContact O-N 3.38Å | ||
| 44 | T | 41.2 | Very low | 44.2 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -60.8 | 98.7 | 158.8 | 41.3 | 0 | 0 | 0 | 0 | 106.7 | S42 E46 | S42-T44 PolarHBondContact O-N 3.07Å; T44-E46 VanDerWaalsContact C-N 3.25Å; T44-E46 PolarHBondContact O-N 3.31Å | ||
| 45 | V | 43.7 | Very low | 45.5 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -67.9 | 97.1 | 163.3 | 178.4 | 0 | 0 | 0 | 0 | 105.1 | I43 A47 | I43-V45 VanDerWaalsContact C-N 3.28Å; I43-V45 HydrophobicContact CG2-CG2 4.24Å; I43-V45 PolarHBondContact O-N 3.38Å; V45-A47 PolarHBondContact O-N 3.29Å | ||
| 46 | E | 46.1 | Very low | 46.7 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -58.8 | 105.5 | 164.1 | -159.2 | 172.8 | -161.3 | 0 | 0 | 105.8 | T44 G48 | T44-E46 VanDerWaalsContact C-N 3.25Å; T44-E46 PolarHBondContact O-N 3.31Å; E46-G48 VanDerWaalsContact C-N 3.28Å; E46-G48 PolarHBondContact O-N 2.98Å | ||
| 47 | A | 49.6 | Very low | 48 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -63.8 | 97.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | V45 | V45-A47 PolarHBondContact O-N 3.29Š| ||
| 48 | G | 52.8 | Low | 49.8 | Very low | 55 Ų | 55 | 119.2 Ų | 119.2 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | trans | -49.4 | 144.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | E46 | E46-G48 VanDerWaalsContact C-N 3.28Å; E46-G48 PolarHBondContact O-N 2.98Å | ||
| 49 | P | 56.8 | Low | 52 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -49.8 | 140.2 | -178.1 | 21.4 | -32.6 | 0 | 0 | 0 | 109 | S51 | P49-S51 PolarHBondContact O-N 3.03Š| ||
| 50 | P | 51.6 | Low | 54.5 | Low | 127 Ų | 127 | 108.6 Ų | 108.6 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -49.3 | 115 | -177.1 | 18.8 | -30.8 | 0 | 0 | 0 | 108.1 | T52 | P50-T52 PolarHBondContact O-N 3.14Š| ||
| 51 | S | 53.5 | Low | 57 | Low | 108 Ų | 108 | 101.7 Ų | 101.7 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -50.3 | 116.9 | 180 | 55.9 | 0 | 0 | 0 | 0 | 106.7 | P49 P53 | P49-S51 PolarHBondContact O-N 3.03Å; S51-P53 VanDerWaalsContact O-N 3.14Å | ||
| 52 | T | 53.2 | Low | 59.6 | Low | 126 Ų | 126 | 98.1 Ų | 98.1 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | trans | -46.3 | 126.6 | 173.4 | -21 | 0 | 0 | 0 | 0 | 106.1 | P50 A54 | P50-T52 PolarHBondContact O-N 3.14Å; T52-A54 PolarHBondContact O-N 3.4Å | ||
| 53 | P | 50.1 | Low | 62.1 | Low | 119 Ų | 119 | 95.3 Ų | 95.3 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | trans | -53.8 | 112 | -173.1 | 17.9 | -29.7 | 0 | 0 | 0 | 107.9 | S51 V55 | S51-P53 VanDerWaalsContact O-N 3.14Å; P53-V55 PolarHBondContact O-N 2.85Å; P53-V55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | A | 59 | Low | 64.6 | Low | 92 Ų | 92 | 96.1 Ų | 96.1 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | trans | -52.9 | 125.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | T52 A56 | T52-A54 PolarHBondContact O-N 3.4Å; A54-A56 PolarHBondContact O-N 2.87Å | ||
| 55 | V | 59.1 | Low | 67.2 | Low | 120 Ų | 120 | 93.8 Ų | 93.8 | 73% | 0.727 | 59% | 0.593 | S | S | * | * | trans | -51.6 | 115.7 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 106.8 | P53 V57 | P53-V55 PolarHBondContact O-N 2.85Å; P53-V55 VanDerWaalsContact O-N 3.12Å; V55-V57 PolarHBondContact O-N 3.19Å | ||
| 56 | A | 61 | Low | 69.8 | Low | 40 Ų | 40 | 88 Ų | 88 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | trans | -61.7 | 112.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A54 G171 Y172 | A54-A56 PolarHBondContact O-N 2.87Å; A56-G171 VanDerWaalsContact O-O 3.1Å; A56-Y172 HydrophobicContact CB-CD1 4.32Å; A56-Y172 HydrophobicContact CB-CE1 4.08Å | ||
| 57 | V | 69 | Low | 72.2 | Confident | 112 Ų | 112 | 79.3 Ų | 79.3 | 68% | 0.679 | 52% | 0.517 | S | S | * | . | trans | -76 | 133.3 | 178 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | V55 N59 | V55-V57 PolarHBondContact O-N 3.19Å; V57-N59 PolarHBondContact O-N 3.15Å; V57-N59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | P | 75.6 | Confident | 74.5 | Confident | 42 Ų | 42 | 83.5 Ų | 83.5 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | trans | -51.9 | 120.8 | 177.4 | -27.9 | 34.8 | 0 | 0 | 0 | 111.8 | T174 | P58-T174 HydrophobicContact CB-CG2 3.82Å; P58-T174 HydrophobicContact CG-CG2 3.9Å | ||
| 59 | N | 83.1 | Confident | 76.7 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | trans | -131.2 | 176.1 | 178.8 | 69.6 | 30.2 | 0 | 0 | 0 | 111.2 | V57 A61 T62 N63 | V57-N59 PolarHBondContact O-N 3.15Å; V57-N59 VanDerWaalsContact O-N 3.12Å; N59-A61 PolarHBondContact O-N 3.22Å; N59-A61 WeakPolarHBondContact OD1-CA 3.5Å; N59-A61 WeakPolarHBondContact OD1-CB 3.44Å; N59-A61 PolarHBondContact OD1-N 2.91Å; N59-T62 PolarHBondContact N-OG1 3.17Å; N59-T62 PolarHBondContact O-N 3.3Å; N59-T62 PolarHBondContact O-OG1 2.7Å; N59-T62 PolarHBondContact OD1-N 3.38Å; N59-T62 PolarHBondContact OD1-OG1 3.48Å; N59-N63 PolarHBondContact O-N 3.19Å | ||
| 60 | A | 85.9 | Confident | 78.6 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.2 | -33.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | R64 | A60-R64 WeakPolarHBondContact O-CG 3.34Å; A60-R64 PolarHBondContact O-N 3.43Å; A60-R64 VanDerWaalsContact O-N 3.17Å |
| 61 | A | 89 | Confident | 80.9 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 49% | 0.488 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.1 | -47.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N59 N63 R64 I65 | N59-A61 PolarHBondContact O-N 3.22Å; N59-A61 WeakPolarHBondContact OD1-CA 3.5Å; N59-A61 WeakPolarHBondContact OD1-CB 3.44Å; N59-A61 PolarHBondContact OD1-N 2.91Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 2.94Å; A61-R64 PolarHBondContact O-N 3.47Å; A61-R64 VanDerWaalsContact O-N 3.15Å; A61-I65 WeakPolarHBondContact O-CG1 3.21Å; A61-I65 PolarHBondContact O-N 3.31Å; A61-I65 VanDerWaalsContact O-N 3.09Å |
| 62 | T | 91.1 | Very high | 83 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 176 | 59 | 0 | 0 | 0 | 0 | 112.2 | N59 R64 I65 V66 Y172 | N59-T62 PolarHBondContact N-OG1 3.17Å; N59-T62 PolarHBondContact O-N 3.3Å; N59-T62 PolarHBondContact O-OG1 2.7Å; N59-T62 PolarHBondContact OD1-N 3.38Å; N59-T62 PolarHBondContact OD1-OG1 3.48Å; T62-R64 VanDerWaalsContact C-N 3.32Å; T62-R64 PolarHBondContact O-N 3.14Å; T62-I65 PolarHBondContact O-N 2.82Å; T62-V66 WeakPolarHBondContact O-CG2 3.47Å; T62-V66 PolarHBondContact O-N 3.32Å; T62-Y172 HydrophobicContact CG2-CD1 4.1Å; T62-Y172 HydrophobicContact CG2-CD2 4.47Å; T62-Y172 HydrophobicContact CG2-CE1 4.17Å; T62-Y172 HydrophobicContact CG2-CG 4.26Å |
| 63 | N | 91.6 | Very high | 85.2 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.4 | -76.4 | -15.8 | 0 | 0 | 0 | 111.8 | N59 A61 G67 L241 | N59-N63 PolarHBondContact O-N 3.19Å; A61-N63 VanDerWaalsContact C-N 3.32Å; A61-N63 PolarHBondContact O-N 2.94Å; N63-G67 WeakPolarHBondContact O-CA 3.31Å; N63-G67 PolarHBondContact O-N 3.22Å; N63-L241 HydrophobicContact CB-CD2 4.07Å; N63-L241 WeakPolarHBondContact O-CB 3.36Å |
| 64 | R | 94 | Very high | 87.5 | Confident | 158 Ų | 158 | 58.2 Ų | 58.2 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.6 | -38.2 | 176 | -72.8 | 174.4 | -178.3 | 176.8 | 2.3 | 112.1 | A60 A61 T62 G67 R68 | A60-R64 WeakPolarHBondContact O-CG 3.34Å; A60-R64 PolarHBondContact O-N 3.43Å; A60-R64 VanDerWaalsContact O-N 3.17Å; A61-R64 PolarHBondContact O-N 3.47Å; A61-R64 VanDerWaalsContact O-N 3.15Å; T62-R64 VanDerWaalsContact C-N 3.32Å; T62-R64 PolarHBondContact O-N 3.14Å; R64-G67 PolarHBondContact O-N 3.39Å; R64-R68 WeakPolarHBondContact O-CB 3.35Å; R64-R68 VanDerWaalsContact O-CG 3.27Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.29Å |
| 65 | I | 96.3 | Very high | 89.3 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -53.1 | 176.5 | -66.2 | 168.5 | 0 | 0 | 0 | 110.3 | A61 T62 G67 R68 W69 F167 | A61-I65 WeakPolarHBondContact O-CG1 3.21Å; A61-I65 PolarHBondContact O-N 3.31Å; A61-I65 VanDerWaalsContact O-N 3.09Å; T62-I65 PolarHBondContact O-N 2.82Å; I65-G67 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 3.3Å; I65-R68 PolarHBondContact O-N 2.85Å; I65-W69 PolarHBondContact O-N 2.79Å; I65-F167 HydrophobicContact CG2-CE1 3.93Å; I65-F167 HydrophobicContact CG2-CZ 3.85Å |
| 66 | V | 96.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -40 | 177.8 | 175 | 0 | 0 | 0 | 0 | 110.8 | T62 W69 L70 F167 F173 L241 | T62-V66 WeakPolarHBondContact O-CG2 3.47Å; T62-V66 PolarHBondContact O-N 3.32Å; V66-W69 HydrophobicContact CG1-CE3 3.99Å; V66-W69 HydrophobicContact CG1-CZ3 4.2Å; V66-W69 PolarHBondContact O-N 3.37Å; V66-L70 HydrophobicContact CG1-CD1 4.18Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 3.37Å; V66-F167 HydrophobicContact CG2-CD2 4.17Å; V66-F167 HydrophobicContact CG2-CE2 4.43Å; V66-F167 HydrophobicContact CG2-CG 4.45Å; V66-F173 HydrophobicContact CG1-CD1 4.5Å; V66-F173 HydrophobicContact CG1-CE1 3.92Å; V66-F173 HydrophobicContact CG2-CD1 4.35Å; V66-F173 HydrophobicContact CG2-CE1 3.93Å; V66-L241 HydrophobicContact CB-CD1 4.11Å; V66-L241 HydrophobicContact CG1-CD1 3.67Å |
| 67 | G | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N63 R64 I65 W69 L70 L71 | N63-G67 WeakPolarHBondContact O-CA 3.31Å; N63-G67 PolarHBondContact O-N 3.22Å; R64-G67 PolarHBondContact O-N 3.39Å; I65-G67 VanDerWaalsContact C-N 3.28Å; I65-G67 PolarHBondContact O-N 3.3Å; G67-W69 VanDerWaalsContact C-N 3.31Å; G67-W69 PolarHBondContact O-N 2.97Å; G67-L70 PolarHBondContact O-N 3.37Å; G67-L71 WeakPolarHBondContact O-CG 3.5Å; G67-L71 PolarHBondContact O-N 3.47Å |
| 68 | R | 98 | Very high | 94.3 | Very high | 179 Ų | 179 | 46.8 Ų | 46.8 | 68% | 0.675 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 176.5 | -73 | 175.1 | 77.5 | 173.3 | 4.8 | 112 | R64 I65 L71 G72 M242 | R64-R68 WeakPolarHBondContact O-CB 3.35Å; R64-R68 VanDerWaalsContact O-CG 3.27Å; R64-R68 WeakPolarHBondContact O-CG 3.44Å; R64-R68 PolarHBondContact O-N 3.29Å; I65-R68 PolarHBondContact O-N 2.85Å; R68-L71 PolarHBondContact O-N 3.38Å; R68-G72 PolarHBondContact O-N 2.92Å; R68-M242 HydrophobicContact CB-SD 4.42Å; R68-M242 HydrophobicContact CG-CE 3.55Å; R68-M242 HydrophobicContact CG-SD 3.58Å; R68-M242 VanDerWaalsContact CG-SD 3.58Å |
| 69 | W | 98.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 174.6 | 162.8 | 57.9 | 0 | 0 | 0 | 111.5 | I65 V66 G67 L71 G72 C73 A159 Y160 P163 A164 F167 F173 V181 | I65-W69 PolarHBondContact O-N 2.79Å; V66-W69 HydrophobicContact CG1-CE3 3.99Å; V66-W69 HydrophobicContact CG1-CZ3 4.2Å; V66-W69 PolarHBondContact O-N 3.37Å; G67-W69 VanDerWaalsContact C-N 3.31Å; G67-W69 PolarHBondContact O-N 2.97Å; W69-L71 VanDerWaalsContact C-N 3.32Å; W69-L71 PolarHBondContact O-N 3.36Å; W69-G72 PolarHBondContact O-N 2.87Å; W69-G72 VanDerWaalsContact O-N 3.1Å; W69-C73 PolarHBondContact NE1-SG 3.48Å; W69-C73 WeakPolarHBondContact O-CB 3.3Å; W69-C73 PolarHBondContact O-N 3.26Å; W69-A159 PolarHBondContact NE1-O 2.92Å; W69-Y160 VanDerWaalsContact CZ2-O 3.32Å; W69-Y160 WeakPolarHBondContact CZ2-O 3.31Å; W69-P163 HydrophobicContact CD2-CB 4.26Å; W69-P163 HydrophobicContact CG-CB 4.27Å; W69-P163 HydrophobicContact CZ2-CB 4.3Å; W69-A164 HydrophobicContact CH2-CB 3.82Å; W69-A164 HydrophobicContact CZ2-CB 4.02Å; W69-F167 HydrophobicContact CB-CE2 3.94Å; W69-F167 HydrophobicContact CB-CZ 4.38Å; W69-F167 HydrophobicContact CD2-CD2 4.14Å; W69-F167 AromaticContact CD2-CE2 3.59Å; W69-F167 HydrophobicContact CD2-CE2 3.59Å; W69-F167 AromaticContact CE3-CD2 3.72Å; W69-F167 HydrophobicContact CE3-CD2 3.72Å; W69-F167 AromaticContact CE3-CE2 3.53Å; W69-F167 HydrophobicContact CE3-CE2 3.53Å; W69-F167 AromaticContact CG-CE2 3.77Å; W69-F167 HydrophobicContact CG-CE2 3.77Å; W69-F167 AromaticContact CZ3-CD2 3.97Å; W69-F167 HydrophobicContact CZ3-CD2 3.97Å; W69-F167 HydrophobicContact CZ3-CE2 4.25Å; W69-F173 HydrophobicContact CH2-CZ 4.43Å; W69-F173 HydrophobicContact CZ3-CE1 4.21Å; W69-F173 HydrophobicContact CZ3-CZ 4.02Å; W69-V181 HydrophobicContact CH2-CG1 4.04Å; W69-V181 HydrophobicContact CH2-CG2 4.36Å; W69-V181 HydrophobicContact CZ3-CG2 4.21Å |
| 70 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 178.8 | -70.4 | 174.4 | 0 | 0 | 0 | 113 | V66 G67 S74 L184 T237 L241 | V66-L70 HydrophobicContact CG1-CD1 4.18Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 3.37Å; G67-L70 PolarHBondContact O-N 3.37Å; L70-S74 WeakPolarHBondContact O-CB 3.45Å; L70-S74 PolarHBondContact O-N 2.84Å; L70-S74 PolarHBondContact O-OG 3.39Å; L70-L184 HydrophobicContact CD2-CD1 3.84Å; L70-T237 HydrophobicContact CD1-CG2 3.47Å; L70-T237 VanDerWaalsContact CD1-CG2 3.47Å; L70-L241 HydrophobicContact CD1-CD1 4.23Å |
| 71 | L | 98.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 171.8 | -67.6 | -175.9 | 0 | 0 | 0 | 111.8 | G67 R68 W69 S74 G75 L235 L239 M242 | G67-L71 WeakPolarHBondContact O-CG 3.5Å; G67-L71 PolarHBondContact O-N 3.47Å; R68-L71 PolarHBondContact O-N 3.38Å; W69-L71 VanDerWaalsContact C-N 3.32Å; W69-L71 PolarHBondContact O-N 3.36Å; L71-S74 WeakPolarHBondContact O-CB 3.36Å; L71-S74 PolarHBondContact O-N 3.48Å; L71-G75 PolarHBondContact O-N 3.01Å; L71-L235 HydrophobicContact CD2-CD1 3.68Å; L71-L239 HydrophobicContact CD2-CD2 4.06Å; L71-L239 HydrophobicContact CD2-CG 4.05Å; L71-M242 HydrophobicContact CD1-CG 4.3Å; L71-M242 HydrophobicContact CD1-SD 3.42Å; L71-M242 WeakPolarHBondContact CD1-SD 3.44Å; L71-M242 HydrophobicContact CG-SD 4.4Å |
| 72 | G | 98.4 | Very high | 96.8 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 42% | 0.423 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R68 W69 S74 G75 L76 | R68-G72 PolarHBondContact O-N 2.92Å; W69-G72 PolarHBondContact O-N 2.87Å; W69-G72 VanDerWaalsContact O-N 3.1Å; G72-S74 VanDerWaalsContact C-N 3.3Å; G72-S74 PolarHBondContact O-N 2.97Å; G72-G75 WeakPolarHBondContact O-CA 3.41Å; G72-G75 PolarHBondContact O-N 2.95Å; G72-G75 VanDerWaalsContact O-N 3.12Å; G72-L76 PolarHBondContact O-N 2.86Å |
| 73 | C | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -41.5 | 171.8 | -80.5 | 0 | 0 | 0 | 0 | 112.7 | W69 G75 L76 V77 A159 Y160 | W69-C73 PolarHBondContact NE1-SG 3.48Å; W69-C73 WeakPolarHBondContact O-CB 3.3Å; W69-C73 PolarHBondContact O-N 3.26Å; C73-G75 VanDerWaalsContact C-N 3.34Å; C73-L76 PolarHBondContact O-N 3.46Å; C73-V77 WeakPolarHBondContact O-CG2 3.29Å; C73-V77 PolarHBondContact O-N 2.88Å; C73-A159 PolarHBondContact SG-O 2.89Å; C73-Y160 HydrophobicContact CB-CD2 4.05Å; C73-Y160 HydrophobicContact CB-CE1 4.03Å; C73-Y160 HydrophobicContact CB-CE2 3.49Å; C73-Y160 VanDerWaalsContact CB-CE2 3.49Å; C73-Y160 VanDerWaalsContact CB-CZ 3.49Å |
| 74 | S | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 111 | L70 L71 G72 L76 V77 V78 Y231 S234 L235 | L70-S74 WeakPolarHBondContact O-CB 3.45Å; L70-S74 PolarHBondContact O-N 2.84Å; L70-S74 PolarHBondContact O-OG 3.39Å; L71-S74 WeakPolarHBondContact O-CB 3.36Å; L71-S74 PolarHBondContact O-N 3.48Å; G72-S74 VanDerWaalsContact C-N 3.3Å; G72-S74 PolarHBondContact O-N 2.97Å; S74-L76 PolarHBondContact O-N 2.84Å; S74-V77 PolarHBondContact O-N 3.18Å; S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.32Å; S74-Y231 WeakPolarHBondContact O-CD2 3.39Å; S74-S234 VanDerWaalsContact OG-C 3.3Å; S74-S234 VanDerWaalsContact OG-CB 3.22Å; S74-S234 WeakPolarHBondContact OG-CB 3.32Å; S74-L235 WeakPolarHBondContact OG-CA 3.22Å; S74-L235 PolarHBondContact OG-N 2.93Å |
| 75 | G | 98.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 43% | 0.433 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.8 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L71 G72 C73 V77 V78 G79 | L71-G75 PolarHBondContact O-N 3.01Å; G72-G75 WeakPolarHBondContact O-CA 3.41Å; G72-G75 PolarHBondContact O-N 2.95Å; G72-G75 VanDerWaalsContact O-N 3.12Å; C73-G75 VanDerWaalsContact C-N 3.34Å; G75-V77 VanDerWaalsContact C-N 3.34Å; G75-V77 PolarHBondContact O-N 2.93Å; G75-V78 WeakPolarHBondContact O-CB 3.33Å; G75-V78 PolarHBondContact O-N 2.96Å; G75-G79 PolarHBondContact O-N 3.17Å |
| 76 | L | 98.3 | Very high | 97 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 173.3 | -69.3 | 173.4 | 0 | 0 | 0 | 111.9 | G72 C73 S74 V78 G79 A80 W152 L155 V156 A159 | G72-L76 PolarHBondContact O-N 2.86Å; C73-L76 PolarHBondContact O-N 3.46Å; S74-L76 PolarHBondContact O-N 2.84Å; L76-V78 VanDerWaalsContact C-N 3.34Å; L76-G79 PolarHBondContact O-N 3.02Å; L76-A80 PolarHBondContact O-N 3.12Å; L76-W152 HydrophobicContact CD2-CH2 4.48Å; L76-W152 HydrophobicContact CD2-CZ2 3.81Å; L76-W152 PolarHBondContact O-NE1 2.89Å; L76-L155 HydrophobicContact CD2-CD2 4.05Å; L76-L155 HydrophobicContact CD2-CG 4.42Å; L76-V156 HydrophobicContact CB-CG2 3.9Å; L76-A159 HydrophobicContact CD1-CB 3.3Å |
| 77 | V | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | C73 S74 G75 G79 A80 V81 V156 Y160 L230 | C73-V77 WeakPolarHBondContact O-CG2 3.29Å; C73-V77 PolarHBondContact O-N 2.88Å; S74-V77 PolarHBondContact O-N 3.18Å; G75-V77 VanDerWaalsContact C-N 3.34Å; G75-V77 PolarHBondContact O-N 2.93Å; V77-G79 VanDerWaalsContact C-N 3.33Å; V77-G79 PolarHBondContact O-N 3.27Å; V77-A80 WeakPolarHBondContact O-CB 3.36Å; V77-A80 PolarHBondContact O-N 3.48Å; V77-V81 HydrophobicContact CG1-CG2 4.46Å; V77-V81 WeakPolarHBondContact O-CG2 3.33Å; V77-V81 PolarHBondContact O-N 3.36Å; V77-V156 HydrophobicContact CG2-CG1 4.14Å; V77-Y160 HydrophobicContact CG2-CE2 4.14Å; V77-L230 HydrophobicContact CG2-CD2 4.12Å; V77-L230 HydrophobicContact CG2-CG 4.38Å |
| 78 | V | 97.9 | Very high | 96.5 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | 171.5 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | S74 G75 L76 A80 V81 V82 Y231 V389 | S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.32Å; G75-V78 WeakPolarHBondContact O-CB 3.33Å; G75-V78 PolarHBondContact O-N 2.96Å; L76-V78 VanDerWaalsContact C-N 3.34Å; V78-A80 VanDerWaalsContact C-N 3.27Å; V78-A80 PolarHBondContact O-N 2.99Å; V78-V81 PolarHBondContact O-N 3.21Å; V78-V82 HydrophobicContact CG1-CG2 4.22Å; V78-V82 WeakPolarHBondContact O-CG2 3.3Å; V78-V82 PolarHBondContact O-N 3.04Å; V78-Y231 HydrophobicContact CG2-CD2 3.86Å; V78-Y231 HydrophobicContact CG2-CE2 3.32Å; V78-V389 HydrophobicContact CB-CG1 4.49Å; V78-V389 HydrophobicContact CG1-CG1 4.22Å; V78-V389 HydrophobicContact CG2-CG1 3.79Å |
| 79 | G | 97.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 22% | 0.216 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | G75 L76 V77 V82 L83 | G75-G79 PolarHBondContact O-N 3.17Å; L76-G79 PolarHBondContact O-N 3.02Å; V77-G79 VanDerWaalsContact C-N 3.33Å; V77-G79 PolarHBondContact O-N 3.27Å; G79-V82 PolarHBondContact O-N 3Å; G79-L83 VanDerWaalsContact O-CB 3.22Å; G79-L83 WeakPolarHBondContact O-CB 3.48Å; G79-L83 PolarHBondContact O-N 2.85Å |
| 80 | A | 97 | Very high | 95.7 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L76 V77 V78 V82 L83 G84 H149 W152 V156 | L76-A80 PolarHBondContact O-N 3.12Å; V77-A80 WeakPolarHBondContact O-CB 3.36Å; V77-A80 PolarHBondContact O-N 3.48Å; V78-A80 VanDerWaalsContact C-N 3.27Å; V78-A80 PolarHBondContact O-N 2.99Å; A80-V82 PolarHBondContact O-N 3.31Å; A80-L83 PolarHBondContact O-N 3.42Å; A80-G84 PolarHBondContact O-N 2.79Å; A80-H149 PolarHBondContact O-CE1 2.81Å; A80-H149 PolarHBondContact O-ND1 3.35Å; A80-W152 VanDerWaalsContact N-NE1 3.19Å; A80-V156 HydrophobicContact CB-CG2 4.35Å |
| 81 | V | 96.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 178.7 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | V77 V78 G85 L224 A227 Q385 V389 | V77-V81 HydrophobicContact CG1-CG2 4.46Å; V77-V81 WeakPolarHBondContact O-CG2 3.33Å; V77-V81 PolarHBondContact O-N 3.36Å; V78-V81 PolarHBondContact O-N 3.21Å; V81-G85 PolarHBondContact O-N 3.15Å; V81-L224 HydrophobicContact CB-CD1 4.48Å; V81-L224 HydrophobicContact CG1-CD1 3.64Å; V81-L224 HydrophobicContact CG2-CD1 4.1Å; V81-A227 HydrophobicContact CG2-CB 4.2Å; V81-Q385 PolarHBondContact O-NE2 3.46Å; V81-V389 HydrophobicContact CG1-CG2 3.86Å |
| 82 | V | 95.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 28 Ų | 28 | 26% | 0.261 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.9 | -50.5 | 178.7 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | V78 G79 A80 G84 G85 V86 S386 | V78-V82 HydrophobicContact CG1-CG2 4.22Å; V78-V82 WeakPolarHBondContact O-CG2 3.3Å; V78-V82 PolarHBondContact O-N 3.04Å; G79-V82 PolarHBondContact O-N 3Å; A80-V82 PolarHBondContact O-N 3.31Å; V82-G84 VanDerWaalsContact C-N 3.33Å; V82-G84 PolarHBondContact O-N 2.56Å; V82-G85 PolarHBondContact O-N 3.46Å; V82-G85 VanDerWaalsContact O-N 3.15Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.36Å; V82-S386 VanDerWaalsContact CG2-OG 3.29Å; V82-S386 WeakPolarHBondContact CG2-OG 3.42Å |
| 83 | L | 95.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 26.9 Ų | 26.9 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | -179.4 | -175.3 | 53.4 | 0 | 0 | 0 | 111.4 | G79 A80 G85 V86 T87 M145 G148 H149 W152 | G79-L83 VanDerWaalsContact O-CB 3.22Å; G79-L83 WeakPolarHBondContact O-CB 3.48Å; G79-L83 PolarHBondContact O-N 2.85Å; A80-L83 PolarHBondContact O-N 3.42Å; L83-G85 VanDerWaalsContact C-N 3.33Å; L83-G85 PolarHBondContact O-N 2.83Å; L83-V86 PolarHBondContact O-N 2.93Å; L83-T87 PolarHBondContact O-N 3.2Å; L83-T87 PolarHBondContact O-OG1 3.45Å; L83-M145 HydrophobicContact CD1-CE 3.87Å; L83-G148 WeakPolarHBondContact CD2-O 3.48Å; L83-H149 HydrophobicContact CD2-CB 4.31Å; L83-H149 HydrophobicContact CG-CB 3.99Å; L83-W152 HydrophobicContact CD2-CB 3.9Å; L83-W152 HydrophobicContact CD2-CG 4.29Å |
| 84 | G | 94 | Very high | 93.1 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 18% | 0.175 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A80 V82 R88 H149 | A80-G84 PolarHBondContact O-N 2.79Å; V82-G84 VanDerWaalsContact C-N 3.33Å; V82-G84 PolarHBondContact O-N 2.56Å; G84-R88 WeakPolarHBondContact O-CB 3.23Å; G84-R88 PolarHBondContact O-N 3.08Å; G84-H149 WeakPolarHBondContact CA-CE1 3.31Å; G84-H149 VanDerWaalsContact CA-ND1 3.28Å; G84-H149 WeakPolarHBondContact CA-ND1 3.48Å; G84-H149 PolarHBondContact N-CE1 3.39Å; G84-H149 PolarHBondContact N-ND1 2.87Å; G84-H149 VanDerWaalsContact N-ND1 3.11Å |
| 85 | G | 93.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 27 Ų | 27 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -47.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V81 V82 L83 R88 L89 | V81-G85 PolarHBondContact O-N 3.15Å; V82-G85 PolarHBondContact O-N 3.46Å; V82-G85 VanDerWaalsContact O-N 3.15Å; L83-G85 VanDerWaalsContact C-N 3.33Å; L83-G85 PolarHBondContact O-N 2.83Å; G85-R88 PolarHBondContact O-N 3.29Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 VanDerWaalsContact O-CG 3.23Å; G85-L89 WeakPolarHBondContact O-CG 3.36Å; G85-L89 PolarHBondContact O-N 3.48Å |
| 86 | V | 94.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 22% | 0.224 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.4 | -49.2 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | V82 L83 R88 L89 T90 M145 A382 | V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.36Å; L83-V86 PolarHBondContact O-N 2.93Å; V86-R88 PolarHBondContact O-N 2.71Å; V86-R88 VanDerWaalsContact O-N 3.13Å; V86-L89 CarbonylContact O-C 3.6Å; V86-L89 PolarHBondContact O-N 3.47Å; V86-T90 HydrophobicContact CG1-CG2 4.11Å; V86-T90 PolarHBondContact O-N 3.38Å; V86-T90 PolarHBondContact O-OG1 2.98Å; V86-M145 HydrophobicContact CB-CE 3.86Å; V86-M145 HydrophobicContact CG1-CE 3.48Å; V86-M145 VanDerWaalsContact CG1-CE 3.48Å; V86-A382 HydrophobicContact CG2-CB 3.91Å |
| 87 | T | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.1 | -37.6 | 176 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | L83 T90 E91 S92 M145 E146 | L83-T87 PolarHBondContact O-N 3.2Å; L83-T87 PolarHBondContact O-OG1 3.45Å; T87-T90 PolarHBondContact O-OG1 3.36Å; T87-E91 PolarHBondContact O-N 2.82Å; T87-S92 WeakPolarHBondContact O-CB 3.25Å; T87-S92 PolarHBondContact O-N 2.82Å; T87-M145 PolarHBondContact OG1-O 2.94Å; T87-E146 HydrophobicContact CG2-CB 4.32Å |
| 88 | R | 90.6 | Very high | 89.5 | Confident | 56 Ų | 56 | 27.6 Ų | 27.6 | 21% | 0.211 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.4 | -46 | 175.5 | -177.8 | -86.7 | 150 | 165.8 | 3.5 | 112.4 | G84 G85 V86 T90 E91 A279 D282 | G84-R88 WeakPolarHBondContact O-CB 3.23Å; G84-R88 PolarHBondContact O-N 3.08Å; G85-R88 PolarHBondContact O-N 3.29Å; V86-R88 PolarHBondContact O-N 2.71Å; V86-R88 VanDerWaalsContact O-N 3.13Å; R88-T90 PolarHBondContact O-N 2.66Å; R88-E91 PolarHBondContact O-N 3.02Å; R88-A279 VanDerWaalsContact CZ-C 3.47Å; R88-A279 VanDerWaalsContact NH1-C 3.26Å; R88-A279 VanDerWaalsContact NH1-CA 3.31Å; R88-A279 PolarHBondContact NH1-O 3.42Å; R88-A279 PolarHBondContact NH2-O 3.25Å; R88-D282 IonicContact CZ-OD1 3.33Å; R88-D282 IonicContact NH1-OD1 3.34Å; R88-D282 IonicContact NH2-OD1 3.91Å; R88-D282 PolarHBondContact NH2-OD1 2.95Å; R88-D282 IonicContact NH2-OD2 2.84Å |
| 89 | L | 89.4 | Confident | 88.1 | Confident | 34 Ų | 34 | 31.4 Ų | 31.4 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -20.3 | -178.4 | -71.6 | 166.3 | 0 | 0 | 0 | 112.7 | G85 V86 T378 A381 A382 | G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 VanDerWaalsContact O-CG 3.23Å; G85-L89 WeakPolarHBondContact O-CG 3.36Å; G85-L89 PolarHBondContact O-N 3.48Å; V86-L89 CarbonylContact O-C 3.6Å; V86-L89 PolarHBondContact O-N 3.47Å; L89-T378 HydrophobicContact CB-CG2 3.86Å; L89-T378 HydrophobicContact CD1-CG2 4.41Å; L89-A381 HydrophobicContact CD1-CB 3.76Å; L89-A381 HydrophobicContact CD2-CB 3.95Å; L89-A382 HydrophobicContact CD1-CB 4.14Å |
| 90 | T | 88.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 33.9 Ų | 33.9 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 13.4 | 172.7 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | V86 T87 R88 S92 F141 T378 | V86-T90 HydrophobicContact CG1-CG2 4.11Å; V86-T90 PolarHBondContact O-N 3.38Å; V86-T90 PolarHBondContact O-OG1 2.98Å; T87-T90 PolarHBondContact O-OG1 3.36Å; R88-T90 PolarHBondContact O-N 2.66Å; T90-S92 WeakPolarHBondContact CB-OG 3.35Å; T90-S92 PolarHBondContact O-N 3.25Å; T90-S92 PolarHBondContact O-OG 2.95Å; T90-S92 PolarHBondContact OG1-OG 3.24Å; T90-F141 HydrophobicContact CG2-CE1 4.24Å; T90-F141 HydrophobicContact CG2-CZ 4.3Å; T90-T378 HydrophobicContact CG2-CG2 4.13Å |
| 91 | E | 86.3 | Confident | 85.2 | Confident | 96 Ų | 96 | 38.6 Ų | 38.6 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 36.8 | 178.5 | -59.1 | -173.2 | 164.3 | 0 | 0 | 113.4 | T87 R88 | T87-E91 PolarHBondContact O-N 2.82Å; R88-E91 PolarHBondContact O-N 3.02Å |
| 92 | S | 87.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -97.6 | -3.7 | -172.8 | -51 | 0 | 0 | 0 | 0 | 113.1 | T87 T90 L94 S95 I142 E146 | T87-S92 WeakPolarHBondContact O-CB 3.25Å; T87-S92 PolarHBondContact O-N 2.82Å; T90-S92 WeakPolarHBondContact CB-OG 3.35Å; T90-S92 PolarHBondContact O-N 3.25Å; T90-S92 PolarHBondContact O-OG 2.95Å; T90-S92 PolarHBondContact OG1-OG 3.24Å; S92-L94 PolarHBondContact O-N 2.8Å; S92-L94 VanDerWaalsContact O-N 3.13Å; S92-S95 PolarHBondContact O-N 3.06Å; S92-S95 PolarHBondContact O-OG 2.9Å; S92-S95 VanDerWaalsContact O-OG 3.09Å; S92-I142 WeakPolarHBondContact CB-O 3.45Å; S92-I142 WeakPolarHBondContact OG-CG2 3.49Å; S92-E146 WeakPolarHBondContact O-CB 3.44Å; S92-E146 VanDerWaalsContact O-OE2 3.07Å | ||
| 93 | G | 82.1 | Confident | 82.2 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 94 | L | 83.2 | Confident | 81 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 13.3 | -177.6 | -57.4 | 178.3 | 0 | 0 | 0 | 112.8 | S92 E146 V199 L203 V215 | S92-L94 PolarHBondContact O-N 2.8Å; S92-L94 VanDerWaalsContact O-N 3.13Å; L94-E146 PolarHBondContact N-OE2 3.42Å; L94-V199 HydrophobicContact CD2-CG1 4.28Å; L94-L203 HydrophobicContact CB-CD2 4.19Å; L94-L203 HydrophobicContact CD2-CD2 4.34Å; L94-L203 HydrophobicContact CD2-CG 4.49Å; L94-V215 HydrophobicContact CD2-CG2 4.07Å |
| 95 | S | 84.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.6 | -26.1 | -178.6 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | S92 I142 F143 E146 | S92-S95 PolarHBondContact O-N 3.06Å; S92-S95 PolarHBondContact O-OG 2.9Å; S92-S95 VanDerWaalsContact O-OG 3.09Å; S95-I142 PolarHBondContact OG-O 3.31Å; S95-F143 WeakPolarHBondContact OG-CA 3.42Å; S95-E146 WeakPolarHBondContact CA-OE2 3.07Å; S95-E146 PolarHBondContact N-OE2 3.36Å; S95-E146 WeakPolarHBondContact OG-CB 3.4Å; S95-E146 PolarHBondContact OG-OE2 2.98Å |
| 96 | M | 85 | Confident | 79.6 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | trans | -107 | 100.5 | 179.3 | -66.2 | -172.2 | 68.7 | 0 | 0 | 111.4 | E104 F143 E146 W147 R150 | M96-E104 HydrophobicContact CE-CB 4.05Å; M96-E104 HydrophobicContact CE-CG 4.17Å; M96-F143 HydrophobicContact CE-CE2 4.31Å; M96-F143 HydrophobicContact CE-CZ 3.9Å; M96-F143 HydrophobicContact CG-CD2 3.84Å; M96-F143 HydrophobicContact CG-CE2 3.66Å; M96-F143 HydrophobicContact CG-CG 4.41Å; M96-F143 HydrophobicContact CG-CZ 4.05Å; M96-F143 HydrophobicContact SD-CE1 4.38Å; M96-F143 HydrophobicContact SD-CE2 4.36Å; M96-F143 HydrophobicContact SD-CZ 4.14Å; M96-E146 HydrophobicContact CG-CB 4.32Å; M96-E146 HydrophobicContact CG-CG 4.43Å; M96-E146 PolarHBondContact N-OE2 2.68Å; M96-E146 HydrophobicContact SD-CB 4.49Å; M96-W147 VanDerWaalsContact SD-CA 3.58Å; M96-W147 HydrophobicContact SD-CB 3.74Å; M96-W147 HydrophobicContact SD-CG 4.49Å; M96-R150 PolarHBondContact O-NH2 2.99Å | ||
| 97 | V | 73.6 | Confident | 79.3 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 19% | 0.194 | 29% | 0.289 | C | S | . | . | trans | -74.8 | -43.4 | -173.4 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | F124 | V97-F124 HydrophobicContact CB-CE2 3.85Å; V97-F124 HydrophobicContact CB-CZ 3.99Å; V97-F124 HydrophobicContact CG1-CD2 4.43Å; V97-F124 HydrophobicContact CG1-CE1 3.93Å; V97-F124 HydrophobicContact CG1-CE2 3.37Å; V97-F124 HydrophobicContact CG1-CZ 3.07Å; V97-F124 HydrophobicContact CG2-CD2 3.45Å; V97-F124 VanDerWaalsContact CG2-CD2 3.45Å; V97-F124 HydrophobicContact CG2-CE1 4.36Å; V97-F124 HydrophobicContact CG2-CE2 3.15Å; V97-F124 HydrophobicContact CG2-CG 4.22Å; V97-F124 HydrophobicContact CG2-CZ 3.69Å | ||
| 98 | D | 74.8 | Confident | 79.2 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 32% | 0.316 | 29% | 0.292 | S | S | . | . | trans | -74.6 | 148.7 | 180 | -70.6 | -44.3 | 0 | 0 | 0 | 110 | E104 K120 R150 | D98-E104 WeakPolarHBondContact CB-OE1 3.36Å; D98-E104 VanDerWaalsContact O-CD 3.28Å; D98-K120 IonicContact OD2-NZ 3.95Å; D98-K120 PolarHBondContact OD2-NZ 3.14Å; D98-R150 PolarHBondContact O-NH1 2.67Å | ||
| 99 | W | 68.5 | Low | 79.2 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 45% | 0.451 | 32% | 0.318 | S | S | . | . | trans | -129.9 | 98.1 | 172 | -167.3 | 90.2 | 0 | 0 | 0 | 111 | E104 W196 | W99-E104 WeakPolarHBondContact CA-OE1 3.4Å; W99-E104 PolarHBondContact N-OE1 3.3Å; W99-E104 VanDerWaalsContact N-OE1 3.15Å; W99-W196 AromaticContact CD1-CD1 3.87Å; W99-W196 AromaticContact CD2-CD1 3.66Å; W99-W196 HydrophobicContact CD2-CG 4.41Å; W99-W196 AromaticContact CE2-CD1 4Å; W99-W196 AromaticContact CG-CD1 3.6Å | ||
| 100 | H | 72.2 | Confident | 79.5 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 34% | 0.338 | 33% | 0.326 | S | S | . | . | trans | -121.1 | 132.8 | 173.2 | -60.4 | 84.8 | 0 | 0 | 0 | 110.7 | V102 R103 E104 R154 | H100-V102 VanDerWaalsContact C-N 3.26Å; H100-V102 PolarHBondContact O-N 3.3Å; H100-R103 HydrophobicContact CB-CB 3.87Å; H100-E104 HydrophobicContact CB-CG 4.42Å; H100-E104 IonicContact CE1-OE1 2.76Å; H100-E104 IonicContact CG-OE1 3.65Å; H100-E104 VanDerWaalsContact N-CD 3.3Å; H100-E104 PolarHBondContact N-OE1 3.36Å; H100-E104 PolarHBondContact N-OE2 3.35Å; H100-E104 IonicContact ND1-OE1 2.74Å; H100-E104 PolarHBondContact ND1-OE1 3.13Å; H100-R154 PolarHBondContact O-NH2 3.09Å | ||
| 101 | L | 62.8 | Low | 79.7 | Confident | 115 Ų | 115 | 70.3 Ų | 70.3 | 60% | 0.602 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -38.9 | -177.6 | -172.7 | 64.5 | 0 | 0 | 0 | 112.6 | R154 | L101-R154 PolarHBondContact O-NE 3.1Å; L101-R154 PolarHBondContact O-NH2 3.26Å |
| 102 | V | 65.1 | Low | 80.1 | Confident | 102 Ų | 102 | 69.4 Ų | 69.4 | 62% | 0.618 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -38.9 | -172.6 | -177.1 | 0 | 0 | 0 | 0 | 114 | H100 E104 M105 | H100-V102 VanDerWaalsContact C-N 3.26Å; H100-V102 PolarHBondContact O-N 3.3Å; V102-E104 PolarHBondContact O-N 3.34Å; V102-M105 HydrophobicContact CG1-SD 4.44Å; V102-M105 WeakPolarHBondContact O-CB 3.36Å; V102-M105 WeakPolarHBondContact O-CG 3.17Å; V102-M105 PolarHBondContact O-N 3.37Å; V102-M105 VanDerWaalsContact O-N 3.16Å |
| 103 | R | 63.7 | Low | 80.4 | Confident | 204 Ų | 204 | 74 Ų | 74 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -62.5 | -39.7 | -172 | -71.4 | -176.4 | 173.5 | 174.1 | -3.7 | 113.2 | H100 M105 | H100-R103 HydrophobicContact CB-CB 3.87Å; R103-M105 PolarHBondContact O-N 3.27Å |
| 104 | E | 68.3 | Low | 81 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -81.5 | 7.8 | 179.7 | -73 | 157.1 | -143 | 0 | 0 | 114.3 | M96 D98 W99 H100 V102 K106 W147 R150 M151 | M96-E104 HydrophobicContact CE-CB 4.05Å; M96-E104 HydrophobicContact CE-CG 4.17Å; D98-E104 WeakPolarHBondContact CB-OE1 3.36Å; D98-E104 VanDerWaalsContact O-CD 3.28Å; W99-E104 WeakPolarHBondContact CA-OE1 3.4Å; W99-E104 PolarHBondContact N-OE1 3.3Å; W99-E104 VanDerWaalsContact N-OE1 3.15Å; H100-E104 HydrophobicContact CB-CG 4.42Å; H100-E104 IonicContact CE1-OE1 2.76Å; H100-E104 IonicContact CG-OE1 3.65Å; H100-E104 VanDerWaalsContact N-CD 3.3Å; H100-E104 PolarHBondContact N-OE1 3.36Å; H100-E104 PolarHBondContact N-OE2 3.35Å; H100-E104 IonicContact ND1-OE1 2.74Å; H100-E104 PolarHBondContact ND1-OE1 3.13Å; V102-E104 PolarHBondContact O-N 3.34Å; E104-K106 PolarHBondContact O-N 2.97Å; E104-W147 PolarHBondContact O-NE1 2.98Å; E104-R150 IonicContact OE2-NH1 3.24Å; E104-R150 PolarHBondContact OE2-NH1 3.05Å; E104-M151 WeakPolarHBondContact O-CE 3.49Å |
| 105 | M | 75.6 | Confident | 81.5 | Confident | 94 Ų | 94 | 77.1 Ų | 77.1 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -63.9 | -23.8 | 172.4 | -72 | -176 | 65.5 | 0 | 0 | 112.1 | V102 R103 W147 M151 | V102-M105 HydrophobicContact CG1-SD 4.44Å; V102-M105 WeakPolarHBondContact O-CB 3.36Å; V102-M105 WeakPolarHBondContact O-CG 3.17Å; V102-M105 PolarHBondContact O-N 3.37Å; V102-M105 VanDerWaalsContact O-N 3.16Å; R103-M105 PolarHBondContact O-N 3.27Å; M105-W147 PolarHBondContact O-NE1 2.88Å; M105-M151 HydrophobicContact CB-SD 4.26Å; M105-M151 HydrophobicContact CG-CE 4.42Å; M105-M151 HydrophobicContact CG-SD 4.12Å |
| 106 | K | 83.6 | Confident | 81.9 | Confident | 166 Ų | 166 | 79.4 Ų | 79.4 | 72% | 0.722 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -102.7 | 120.9 | 175.7 | -64.2 | -176 | 179.8 | -176.3 | 0 | 109.2 | E104 | E104-K106 PolarHBondContact O-N 2.97Š|
| 107 | P | 87.8 | Confident | 82.3 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 161.3 | 171.8 | 31.8 | -34 | 0 | 0 | 0 | 110.2 | Q109 F143 Y144 W147 | P107-Q109 WeakPolarHBondContact O-CG 3.4Å; P107-Q109 PolarHBondContact O-N 3.3Å; P107-F143 HydrophobicContact CB-CE1 3.98Å; P107-Y144 HydrophobicContact CB-CE1 4.02Å; P107-Y144 HydrophobicContact CG-CE1 4.11Å; P107-W147 HydrophobicContact CG-CZ2 4.27Å |
| 108 | P | 90.4 | Very high | 83.3 | Confident | 14 Ų | 14 | 80 Ų | 80 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 136.3 | 174.1 | -25.6 | 34.8 | 0 | 0 | 0 | 111.7 | E113 W114 E117 F143 | P108-E113 HydrophobicContact CB-CB 3.78Å; P108-W114 HydrophobicContact CB-CD2 3.62Å; P108-W114 HydrophobicContact CB-CE3 4.03Å; P108-W114 HydrophobicContact CB-CG 3.9Å; P108-W114 HydrophobicContact CB-CH2 4.44Å; P108-W114 HydrophobicContact CB-CZ2 4.06Å; P108-W114 HydrophobicContact CB-CZ3 4.42Å; P108-W114 HydrophobicContact CG-CD2 4.08Å; P108-W114 HydrophobicContact CG-CE3 3.95Å; P108-W114 HydrophobicContact CG-CH2 4.2Å; P108-W114 HydrophobicContact CG-CZ2 4.3Å; P108-W114 HydrophobicContact CG-CZ3 4.02Å; P108-W114 PolarHBondContact O-NE1 3.39Å; P108-W114 VanDerWaalsContact O-NE1 3.11Å; P108-E117 HydrophobicContact CG-CB 4.44Å; P108-E117 HydrophobicContact CG-CG 3.75Å; P108-F143 HydrophobicContact CG-CE1 4.5Å; P108-F143 HydrophobicContact CG-CZ 4.14Å |
| 109 | Q | 90.4 | Very high | 84.2 | Confident | 165 Ų | 165 | 79.8 Ų | 79.8 | 77% | 0.771 | 40% | 0.403 | S | S | * | . | trans | -114.2 | -28 | -176.1 | -56.1 | -157.1 | -65.6 | 0 | 0 | 112.7 | P107 E113 | P107-Q109 WeakPolarHBondContact O-CG 3.4Å; P107-Q109 PolarHBondContact O-N 3.3Å; Q109-E113 PolarHBondContact N-OE2 3.04Å | ||
| 110 | S | 94.8 | Very high | 85.2 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -102.8 | 157.8 | 176.1 | 73 | 0 | 0 | 0 | 0 | 112.2 | A112 E113 W114 | S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 3.05Å; S110-E113 PolarHBondContact N-OE2 3.39Å; S110-E113 PolarHBondContact O-N 3.32Å; S110-E113 VanDerWaalsContact OG-CG 3.25Å; S110-E113 WeakPolarHBondContact OG-CG 3.28Å; S110-E113 PolarHBondContact OG-N 3.34Å; S110-W114 VanDerWaalsContact O-CD1 3.28Å; S110-W114 PolarHBondContact O-N 2.9Å |
| 111 | E | 94 | Very high | 86.1 | Confident | 108 Ų | 108 | 74 Ų | 74 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 177.3 | -164.6 | 66.2 | -178.9 | 0 | 0 | 111.9 | E113 W114 E115 L136 K140 | E111-E113 PolarHBondContact O-N 3.08Å; E111-W114 PolarHBondContact O-N 3.24Å; E111-E115 PolarHBondContact O-N 3.47Å; E111-L136 WeakPolarHBondContact OE1-CD2 3.43Å; E111-K140 IonicContact OE1-NZ 3.52Å; E111-K140 IonicContact OE2-NZ 3.36Å; E111-K140 PolarHBondContact OE2-NZ 3.25Å |
| 112 | A | 94.6 | Very high | 87.4 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | S110 A116 | S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 3.05Å; A112-A116 WeakPolarHBondContact O-CB 3.32Å; A112-A116 PolarHBondContact O-N 2.92Å |
| 113 | E | 92.9 | Very high | 88.5 | Confident | 96 Ų | 96 | 73.8 Ų | 73.8 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 174.8 | -70.2 | 167.5 | 169.2 | 0 | 0 | 111.4 | P108 Q109 S110 E111 A116 E117 | P108-E113 HydrophobicContact CB-CB 3.78Å; Q109-E113 PolarHBondContact N-OE2 3.04Å; S110-E113 PolarHBondContact N-OE2 3.39Å; S110-E113 PolarHBondContact O-N 3.32Å; S110-E113 VanDerWaalsContact OG-CG 3.25Å; S110-E113 WeakPolarHBondContact OG-CG 3.28Å; S110-E113 PolarHBondContact OG-N 3.34Å; E111-E113 PolarHBondContact O-N 3.08Å; E113-A116 PolarHBondContact O-N 3.47Å; E113-E117 PolarHBondContact O-N 3.38Å |
| 114 | W | 94.9 | Very high | 89.5 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 5% | 0.045 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 175.9 | -85.9 | 116.7 | 0 | 0 | 0 | 112.5 | P108 S110 E111 A116 E117 F118 L136 F139 K140 F143 Y144 | P108-W114 HydrophobicContact CB-CD2 3.62Å; P108-W114 HydrophobicContact CB-CE3 4.03Å; P108-W114 HydrophobicContact CB-CG 3.9Å; P108-W114 HydrophobicContact CB-CH2 4.44Å; P108-W114 HydrophobicContact CB-CZ2 4.06Å; P108-W114 HydrophobicContact CB-CZ3 4.42Å; P108-W114 HydrophobicContact CG-CD2 4.08Å; P108-W114 HydrophobicContact CG-CE3 3.95Å; P108-W114 HydrophobicContact CG-CH2 4.2Å; P108-W114 HydrophobicContact CG-CZ2 4.3Å; P108-W114 HydrophobicContact CG-CZ3 4.02Å; P108-W114 PolarHBondContact O-NE1 3.39Å; P108-W114 VanDerWaalsContact O-NE1 3.11Å; S110-W114 VanDerWaalsContact O-CD1 3.28Å; S110-W114 PolarHBondContact O-N 2.9Å; E111-W114 PolarHBondContact O-N 3.24Å; W114-A116 VanDerWaalsContact C-N 3.3Å; W114-A116 PolarHBondContact O-N 2.87Å; W114-E117 PolarHBondContact O-N 2.88Å; W114-F118 WeakPolarHBondContact O-CB 3.32Å; W114-F118 PolarHBondContact O-N 3.03Å; W114-L136 HydrophobicContact CB-CD1 4.22Å; W114-L136 HydrophobicContact CB-CD2 4.37Å; W114-F139 HydrophobicContact CE3-CD1 4.36Å; W114-F139 HydrophobicContact CE3-CE1 4.12Å; W114-F139 HydrophobicContact CZ3-CD1 4.47Å; W114-F139 HydrophobicContact CZ3-CE1 4.16Å; W114-K140 VanDerWaalsContact CD1-CE 3.46Å; W114-K140 HydrophobicContact CD2-CD 4.17Å; W114-K140 VanDerWaalsContact CD2-CE 3.44Å; W114-K140 HydrophobicContact CD2-CG 3.8Å; W114-K140 HydrophobicContact CE3-CG 3.69Å; W114-K140 HydrophobicContact CG-CD 4.45Å; W114-K140 HydrophobicContact CH2-CB 4.49Å; W114-K140 HydrophobicContact CH2-CG 4.03Å; W114-K140 HydrophobicContact CZ2-CG 4.13Å; W114-K140 HydrophobicContact CZ3-CB 4.47Å; W114-K140 HydrophobicContact CZ3-CG 3.81Å; W114-F143 HydrophobicContact CH2-CB 4.28Å; W114-F143 AromaticContact CH2-CD1 3.52Å; W114-F143 HydrophobicContact CH2-CD1 3.52Å; W114-F143 HydrophobicContact CH2-CE1 4Å; W114-F143 AromaticContact CH2-CG 3.92Å; W114-F143 HydrophobicContact CH2-CG 3.92Å; W114-F143 HydrophobicContact CZ3-CB 3.99Å; W114-F143 AromaticContact CZ3-CD1 3.78Å; W114-F143 HydrophobicContact CZ3-CD1 3.78Å; W114-F143 HydrophobicContact CZ3-CD2 4.13Å; W114-F143 HydrophobicContact CZ3-CE1 4.3Å; W114-F143 AromaticContact CZ3-CG 3.69Å; W114-F143 HydrophobicContact CZ3-CG 3.69Å; W114-Y144 HydrophobicContact CH2-CE2 4.06Å; W114-Y144 HydrophobicContact CZ2-CE1 4.49Å; W114-Y144 AromaticContact CZ2-CE2 3.87Å; W114-Y144 HydrophobicContact CZ2-CE2 3.87Å; W114-Y144 AromaticContact CZ2-CZ 3.72Å |
| 115 | E | 95.3 | Very high | 90.2 | Very high | 80 Ų | 80 | 65.5 Ų | 65.5 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 176.1 | -76.2 | -68.5 | -177.3 | 0 | 0 | 112.2 | E111 S119 L136 | E111-E115 PolarHBondContact O-N 3.47Å; E115-S119 WeakPolarHBondContact O-CB 3.35Å; E115-S119 PolarHBondContact O-N 3.24Å; E115-S119 PolarHBondContact O-OG 2.76Å; E115-L136 HydrophobicContact CG-CD2 4.4Å |
| 116 | A | 92.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A112 E113 W114 S119 K120 | A112-A116 WeakPolarHBondContact O-CB 3.32Å; A112-A116 PolarHBondContact O-N 2.92Å; E113-A116 PolarHBondContact O-N 3.47Å; W114-A116 VanDerWaalsContact C-N 3.3Å; W114-A116 PolarHBondContact O-N 2.87Å; A116-S119 PolarHBondContact O-N 3.36Å; A116-K120 WeakPolarHBondContact O-CG 3.35Å; A116-K120 PolarHBondContact O-N 3.01Å; A116-K120 VanDerWaalsContact O-N 3.11Å |
| 117 | E | 92.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.2 | -70.6 | -55.5 | 134.8 | 0 | 0 | 111.9 | P108 E113 W114 S119 K120 Y121 F139 | P108-E117 HydrophobicContact CG-CB 4.44Å; P108-E117 HydrophobicContact CG-CG 3.75Å; E113-E117 PolarHBondContact O-N 3.38Å; W114-E117 PolarHBondContact O-N 2.88Å; E117-S119 VanDerWaalsContact C-N 3.32Å; E117-S119 PolarHBondContact O-N 3.47Å; E117-K120 WeakPolarHBondContact O-CB 3.49Å; E117-K120 PolarHBondContact O-N 3.43Å; E117-K120 IonicContact OE1-NZ 3.89Å; E117-K120 PolarHBondContact OE1-NZ 3.37Å; E117-K120 IonicContact OE2-NZ 2.76Å; E117-Y121 PolarHBondContact O-N 3.42Å; E117-F139 HydrophobicContact CB-CE1 4.13Å; E117-F139 HydrophobicContact CB-CZ 4.26Å |
| 118 | F | 94.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 177.1 | -173.7 | -148.2 | 0 | 0 | 0 | 111.6 | W114 K120 Y121 K122 F127 M134 L136 F139 | W114-F118 WeakPolarHBondContact O-CB 3.32Å; W114-F118 PolarHBondContact O-N 3.03Å; F118-K120 VanDerWaalsContact C-N 3.28Å; F118-K120 PolarHBondContact O-N 2.93Å; F118-Y121 HydrophobicContact CD2-CD1 4.12Å; F118-Y121 HydrophobicContact CE2-CD1 4.09Å; F118-Y121 WeakPolarHBondContact O-CB 3.3Å; F118-Y121 PolarHBondContact O-N 3Å; F118-Y121 VanDerWaalsContact O-N 3.14Å; F118-K122 HydrophobicContact CD2-CG 4.34Å; F118-K122 HydrophobicContact CE2-CG 4.14Å; F118-K122 HydrophobicContact CZ-CD 4.48Å; F118-K122 HydrophobicContact CZ-CG 4.42Å; F118-K122 WeakPolarHBondContact O-CG 3.43Å; F118-K122 PolarHBondContact O-N 3.29Å; F118-F127 HydrophobicContact CE2-CD2 4.08Å; F118-F127 AromaticContact CE2-CE2 3.64Å; F118-F127 HydrophobicContact CE2-CE2 3.64Å; F118-F127 AromaticContact CZ-CE2 3.79Å; F118-F127 HydrophobicContact CZ-CE2 3.79Å; F118-F127 HydrophobicContact CZ-CZ 4.42Å; F118-M134 VanDerWaalsContact CZ-O 3.3Å; F118-M134 WeakPolarHBondContact CZ-O 3.49Å; F118-L136 HydrophobicContact CB-CD1 3.74Å; F118-L136 HydrophobicContact CD1-CB 4.15Å; F118-L136 HydrophobicContact CD1-CD1 3.79Å; F118-L136 HydrophobicContact CE1-CB 4.29Å; F118-L136 HydrophobicContact CG-CD1 3.95Å; F118-F139 HydrophobicContact CB-CD1 3.67Å; F118-F139 HydrophobicContact CB-CE1 3.81Å; F118-F139 HydrophobicContact CB-CG 4.25Å; F118-F139 HydrophobicContact CD2-CB 3.69Å; F118-F139 AromaticContact CD2-CD1 3.81Å; F118-F139 HydrophobicContact CD2-CD1 3.81Å; F118-F139 AromaticContact CD2-CD2 3.81Å; F118-F139 HydrophobicContact CD2-CD2 3.81Å; F118-F139 HydrophobicContact CD2-CE1 4.4Å; F118-F139 HydrophobicContact CD2-CE2 4.41Å; F118-F139 AromaticContact CD2-CG 3.47Å; F118-F139 HydrophobicContact CD2-CG 3.47Å; F118-F139 VanDerWaalsContact CD2-CG 3.47Å; F118-F139 HydrophobicContact CE2-CB 3.84Å; F118-F139 HydrophobicContact CE2-CD2 4.35Å; F118-F139 HydrophobicContact CE2-CG 4.08Å; F118-F139 HydrophobicContact CG-CB 4.29Å; F118-F139 AromaticContact CG-CD1 3.95Å; F118-F139 HydrophobicContact CG-CD1 3.95Å; F118-F139 HydrophobicContact CG-CE1 4.48Å; F118-F139 HydrophobicContact CG-CG 4.06Å |
| 119 | S | 93.6 | Very high | 90.2 | Very high | 56 Ų | 56 | 63 Ų | 63 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 174.5 | -64 | 0 | 0 | 0 | 0 | 112.7 | E115 A116 E117 | E115-S119 WeakPolarHBondContact O-CB 3.35Å; E115-S119 PolarHBondContact O-N 3.24Å; E115-S119 PolarHBondContact O-OG 2.76Å; A116-S119 PolarHBondContact O-N 3.36Å; E117-S119 VanDerWaalsContact C-N 3.32Å; E117-S119 PolarHBondContact O-N 3.47Å |
| 120 | K | 90.5 | Very high | 89.8 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 30% | 0.296 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.1 | -49.1 | 170.3 | -65.7 | 172.9 | -173.9 | 173 | 0 | 110.7 | D98 A116 E117 F118 K122 Q123 F124 | D98-K120 IonicContact OD2-NZ 3.95Å; D98-K120 PolarHBondContact OD2-NZ 3.14Å; A116-K120 WeakPolarHBondContact O-CG 3.35Å; A116-K120 PolarHBondContact O-N 3.01Å; A116-K120 VanDerWaalsContact O-N 3.11Å; E117-K120 WeakPolarHBondContact O-CB 3.49Å; E117-K120 PolarHBondContact O-N 3.43Å; E117-K120 IonicContact OE1-NZ 3.89Å; E117-K120 PolarHBondContact OE1-NZ 3.37Å; E117-K120 IonicContact OE2-NZ 2.76Å; F118-K120 VanDerWaalsContact C-N 3.28Å; F118-K120 PolarHBondContact O-N 2.93Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.07Å; K120-Q123 VanDerWaalsContact O-CB 3.3Å; K120-Q123 WeakPolarHBondContact O-CB 3.22Å; K120-Q123 PolarHBondContact O-N 3.33Å; K120-F124 VanDerWaalsContact O-CD2 3.22Å; K120-F124 WeakPolarHBondContact O-CD2 3.34Å; K120-F124 WeakPolarHBondContact O-CE2 3.35Å |
| 121 | Y | 90.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.4 | -39 | 180 | 179.7 | -113.9 | 0 | 0 | 0 | 112.6 | E117 F118 Q123 F124 E126 F127 N131 M134 F139 I142 | E117-Y121 PolarHBondContact O-N 3.42Å; F118-Y121 HydrophobicContact CD2-CD1 4.12Å; F118-Y121 HydrophobicContact CE2-CD1 4.09Å; F118-Y121 WeakPolarHBondContact O-CB 3.3Å; F118-Y121 PolarHBondContact O-N 3Å; F118-Y121 VanDerWaalsContact O-N 3.14Å; Y121-Q123 PolarHBondContact O-N 3.13Å; Y121-F124 PolarHBondContact O-N 3.48Å; Y121-E126 VanDerWaalsContact CE2-OE2 3.23Å; Y121-E126 WeakPolarHBondContact CE2-OE2 3.43Å; Y121-E126 VanDerWaalsContact CZ-OE2 3.32Å; Y121-E126 PolarHBondContact OH-OE2 3.44Å; Y121-F127 HydrophobicContact CD1-CB 4.09Å; Y121-F127 AromaticContact CD1-CD2 3.73Å; Y121-F127 HydrophobicContact CD1-CD2 3.73Å; Y121-F127 HydrophobicContact CD1-CG 4.3Å; Y121-F127 HydrophobicContact CE1-CB 3.89Å; Y121-F127 AromaticContact CE1-CD2 3.64Å; Y121-F127 HydrophobicContact CE1-CD2 3.64Å; Y121-F127 HydrophobicContact CE1-CG 4.25Å; Y121-F127 WeakPolarHBondContact O-CB 3.48Å; Y121-N131 PolarHBondContact OH-ND2 3.09Å; Y121-M134 HydrophobicContact CE1-SD 3.9Å; Y121-F139 VanDerWaalsContact CB-CE2 3.47Å; Y121-F139 AromaticContact CD1-CD2 3.55Å; Y121-F139 HydrophobicContact CD1-CD2 3.55Å; Y121-F139 AromaticContact CD1-CE2 3.76Å; Y121-F139 HydrophobicContact CD1-CE2 3.76Å; Y121-F139 HydrophobicContact CD2-CE2 4.13Å; Y121-F139 HydrophobicContact CE1-CD2 4.1Å; Y121-F139 AromaticContact CG-CD2 3.84Å; Y121-F139 HydrophobicContact CG-CD2 3.84Å; Y121-F139 AromaticContact CG-CE2 3.52Å; Y121-F139 HydrophobicContact CG-CE2 3.52Å; Y121-I142 HydrophobicContact CE1-CD1 4.06Å; Y121-I142 HydrophobicContact CE2-CD1 4.42Å |
| 122 | K | 90.6 | Very high | 89.1 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.4 | 175.1 | -71.6 | 177.2 | -177.2 | 171.7 | 0 | 114.7 | F118 K120 F124 F127 | F118-K122 HydrophobicContact CD2-CG 4.34Å; F118-K122 HydrophobicContact CE2-CG 4.14Å; F118-K122 HydrophobicContact CZ-CD 4.48Å; F118-K122 HydrophobicContact CZ-CG 4.42Å; F118-K122 WeakPolarHBondContact O-CG 3.43Å; F118-K122 PolarHBondContact O-N 3.29Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.07Å; K122-F124 VanDerWaalsContact C-N 3.32Å; K122-F127 HydrophobicContact CB-CD1 4Å; K122-F127 HydrophobicContact CB-CE1 4.15Å; K122-F127 HydrophobicContact CB-CG 4.33Å; K122-F127 HydrophobicContact CD-CE1 4.44Å; K122-F127 HydrophobicContact CD-CZ 4.27Å; K122-F127 HydrophobicContact CG-CD1 3.92Å; K122-F127 HydrophobicContact CG-CD2 4.07Å; K122-F127 HydrophobicContact CG-CE1 3.71Å; K122-F127 HydrophobicContact CG-CE2 3.84Å; K122-F127 HydrophobicContact CG-CG 4.12Å; K122-F127 HydrophobicContact CG-CZ 3.68Å |
| 123 | Q | 88.6 | Confident | 89 | Confident | 131 Ų | 131 | 61.6 Ų | 61.6 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -13.9 | 178.6 | -58.6 | 176.6 | 5 | 0 | 0 | 112.7 | K120 Y121 K128 | K120-Q123 VanDerWaalsContact O-CB 3.3Å; K120-Q123 WeakPolarHBondContact O-CB 3.22Å; K120-Q123 PolarHBondContact O-N 3.33Å; Y121-Q123 PolarHBondContact O-N 3.13Å; Q123-K128 WeakPolarHBondContact O-CE 3.45Å; Q123-K128 PolarHBondContact O-NZ 3.34Å |
| 124 | F | 83.9 | Confident | 89 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -89.3 | 154.6 | -174.5 | -72.1 | -85.4 | 0 | 0 | 0 | 113.3 | V97 K120 Y121 K122 E126 F127 K128 L203 | V97-F124 HydrophobicContact CB-CE2 3.85Å; V97-F124 HydrophobicContact CB-CZ 3.99Å; V97-F124 HydrophobicContact CG1-CD2 4.43Å; V97-F124 HydrophobicContact CG1-CE1 3.93Å; V97-F124 HydrophobicContact CG1-CE2 3.37Å; V97-F124 HydrophobicContact CG1-CZ 3.07Å; V97-F124 HydrophobicContact CG2-CD2 3.45Å; V97-F124 VanDerWaalsContact CG2-CD2 3.45Å; V97-F124 HydrophobicContact CG2-CE1 4.36Å; V97-F124 HydrophobicContact CG2-CE2 3.15Å; V97-F124 HydrophobicContact CG2-CG 4.22Å; V97-F124 HydrophobicContact CG2-CZ 3.69Å; K120-F124 VanDerWaalsContact O-CD2 3.22Å; K120-F124 WeakPolarHBondContact O-CD2 3.34Å; K120-F124 WeakPolarHBondContact O-CE2 3.35Å; Y121-F124 PolarHBondContact O-N 3.48Å; K122-F124 VanDerWaalsContact C-N 3.32Å; F124-E126 VanDerWaalsContact C-N 3.28Å; F124-E126 PolarHBondContact O-N 3.07Å; F124-F127 PolarHBondContact O-N 2.86Å; F124-K128 WeakPolarHBondContact O-CG 3.49Å; F124-K128 PolarHBondContact O-N 3.24Å; F124-K128 VanDerWaalsContact O-N 3.13Å; F124-L203 HydrophobicContact CD1-CB 4.11Å; F124-L203 HydrophobicContact CD1-CD2 3.74Å; F124-L203 HydrophobicContact CD1-CG 4.48Å; F124-L203 HydrophobicContact CE1-CB 4.02Å; F124-L203 HydrophobicContact CE1-CD2 4.07Å; F124-L203 HydrophobicContact CE1-CG 4.46Å; F124-L203 HydrophobicContact CG-CD2 4.31Å |
| 125 | P | 83.6 | Confident | 89 | Confident | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -36.9 | -179.3 | -28.6 | 38.7 | 0 | 0 | 0 | 113.9 | F127 K128 I129 E205 P213 | P125-F127 VanDerWaalsContact C-N 3.34Å; P125-F127 PolarHBondContact O-N 3.45Å; P125-K128 PolarHBondContact O-N 2.91Å; P125-I129 HydrophobicContact CB-CD1 4.24Å; P125-I129 WeakPolarHBondContact O-CB 3.41Å; P125-I129 WeakPolarHBondContact O-CG1 3.1Å; P125-I129 PolarHBondContact O-N 2.96Å; P125-E205 HydrophobicContact CG-CG 3.33Å; P125-P213 HydrophobicContact CB-CB 3.91Å; P125-P213 HydrophobicContact CB-CG 3.59Å |
| 126 | E | 82.2 | Confident | 89 | Confident | 11 Ų | 11 | 58 Ų | 58 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 179.4 | -168.4 | -176.9 | -109.8 | 0 | 0 | 111.4 | Y121 F124 L130 N131 | Y121-E126 VanDerWaalsContact CE2-OE2 3.23Å; Y121-E126 WeakPolarHBondContact CE2-OE2 3.43Å; Y121-E126 VanDerWaalsContact CZ-OE2 3.32Å; Y121-E126 PolarHBondContact OH-OE2 3.44Å; F124-E126 VanDerWaalsContact C-N 3.28Å; F124-E126 PolarHBondContact O-N 3.07Å; E126-L130 HydrophobicContact CG-CD1 4.34Å; E126-L130 WeakPolarHBondContact O-CB 3.29Å; E126-L130 PolarHBondContact O-N 2.79Å; E126-N131 PolarHBondContact O-N 3.49Å |
| 127 | F | 86.7 | Confident | 89.1 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 173.2 | -173.6 | -87.1 | 0 | 0 | 0 | 111.8 | F118 Y121 K122 F124 P125 I129 N131 H132 M134 | F118-F127 HydrophobicContact CE2-CD2 4.08Å; F118-F127 AromaticContact CE2-CE2 3.64Å; F118-F127 HydrophobicContact CE2-CE2 3.64Å; F118-F127 AromaticContact CZ-CE2 3.79Å; F118-F127 HydrophobicContact CZ-CE2 3.79Å; F118-F127 HydrophobicContact CZ-CZ 4.42Å; Y121-F127 HydrophobicContact CD1-CB 4.09Å; Y121-F127 AromaticContact CD1-CD2 3.73Å; Y121-F127 HydrophobicContact CD1-CD2 3.73Å; Y121-F127 HydrophobicContact CD1-CG 4.3Å; Y121-F127 HydrophobicContact CE1-CB 3.89Å; Y121-F127 AromaticContact CE1-CD2 3.64Å; Y121-F127 HydrophobicContact CE1-CD2 3.64Å; Y121-F127 HydrophobicContact CE1-CG 4.25Å; Y121-F127 WeakPolarHBondContact O-CB 3.48Å; K122-F127 HydrophobicContact CB-CD1 4Å; K122-F127 HydrophobicContact CB-CE1 4.15Å; K122-F127 HydrophobicContact CB-CG 4.33Å; K122-F127 HydrophobicContact CD-CE1 4.44Å; K122-F127 HydrophobicContact CD-CZ 4.27Å; K122-F127 HydrophobicContact CG-CD1 3.92Å; K122-F127 HydrophobicContact CG-CD2 4.07Å; K122-F127 HydrophobicContact CG-CE1 3.71Å; K122-F127 HydrophobicContact CG-CE2 3.84Å; K122-F127 HydrophobicContact CG-CG 4.12Å; K122-F127 HydrophobicContact CG-CZ 3.68Å; F124-F127 PolarHBondContact O-N 2.86Å; P125-F127 VanDerWaalsContact C-N 3.34Å; P125-F127 PolarHBondContact O-N 3.45Å; F127-I129 VanDerWaalsContact C-N 3.28Å; F127-I129 PolarHBondContact O-N 3.32Å; F127-N131 HydrophobicContact CD2-CB 4.4Å; F127-N131 VanDerWaalsContact CD2-O 3.27Å; F127-N131 WeakPolarHBondContact CD2-O 3.4Å; F127-N131 WeakPolarHBondContact CE2-O 3.42Å; F127-N131 CarbonylContact O-C 3.17Å; F127-N131 PolarHBondContact O-N 2.67Å; F127-H132 WeakPolarHBondContact CZ-O 3.37Å; F127-H132 WeakPolarHBondContact O-CA 3.38Å; F127-H132 WeakPolarHBondContact O-CB 3.27Å; F127-H132 PolarHBondContact O-N 2.79Å; F127-M134 HydrophobicContact CD2-CB 4.46Å; F127-M134 HydrophobicContact CE2-CB 4Å |
| 128 | K | 85.5 | Confident | 89.2 | Confident | 109 Ų | 109 | 63 Ų | 63 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -33.5 | -175.6 | -67.9 | 168.8 | 177.9 | 163.4 | 0 | 113.4 | Q123 F124 P125 E205 | Q123-K128 WeakPolarHBondContact O-CE 3.45Å; Q123-K128 PolarHBondContact O-NZ 3.34Å; F124-K128 WeakPolarHBondContact O-CG 3.49Å; F124-K128 PolarHBondContact O-N 3.24Å; F124-K128 VanDerWaalsContact O-N 3.13Å; P125-K128 PolarHBondContact O-N 2.91Å; K128-E205 IonicContact NZ-OE1 3.93Å; K128-E205 PolarHBondContact NZ-OE1 3.01Å |
| 129 | I | 82.4 | Confident | 89.2 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -101.2 | -47.9 | -171.4 | -63.6 | 168.4 | 0 | 0 | 0 | 111.5 | P125 F127 P213 | P125-I129 HydrophobicContact CB-CD1 4.24Å; P125-I129 WeakPolarHBondContact O-CB 3.41Å; P125-I129 WeakPolarHBondContact O-CG1 3.1Å; P125-I129 PolarHBondContact O-N 2.96Å; F127-I129 VanDerWaalsContact C-N 3.28Å; F127-I129 PolarHBondContact O-N 3.32Å; I129-P213 HydrophobicContact CB-CG 4.4Å; I129-P213 HydrophobicContact CD1-CG 3.61Å |
| 130 | L | 82.1 | Confident | 89.2 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -43.8 | -173 | -59.7 | 175.6 | 0 | 0 | 0 | 112.4 | E126 V212 | E126-L130 HydrophobicContact CG-CD1 4.34Å; E126-L130 WeakPolarHBondContact O-CB 3.29Å; E126-L130 PolarHBondContact O-N 2.79Å; L130-V212 HydrophobicContact CD1-CG1 3.61Å; L130-V212 HydrophobicContact CD2-CG1 3.93Å; L130-V212 HydrophobicContact CG-CG1 4.19Å |
| 131 | N | 87.8 | Confident | 89.4 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | trans | -110.9 | 29.3 | -165.1 | -67.2 | -32.1 | 0 | 0 | 0 | 113.5 | Y121 E126 F127 E133 M134 | Y121-N131 PolarHBondContact OH-ND2 3.09Å; E126-N131 PolarHBondContact O-N 3.49Å; F127-N131 HydrophobicContact CD2-CB 4.4Å; F127-N131 VanDerWaalsContact CD2-O 3.27Å; F127-N131 WeakPolarHBondContact CD2-O 3.4Å; F127-N131 WeakPolarHBondContact CE2-O 3.42Å; F127-N131 CarbonylContact O-C 3.17Å; F127-N131 PolarHBondContact O-N 2.67Å; N131-E133 PolarHBondContact O-N 2.77Å; N131-E133 VanDerWaalsContact O-N 3.16Å; N131-M134 HydrophobicContact CB-CB 4.07Å; N131-M134 HydrophobicContact CB-CE 3.66Å; N131-M134 HydrophobicContact CB-SD 4.28Å; N131-M134 WeakPolarHBondContact O-CB 3.32Å; N131-M134 PolarHBondContact O-N 2.88Å | ||
| 132 | H | 87.3 | Confident | 89.5 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21 | -169.3 | 57.6 | -83.4 | 0 | 0 | 0 | 114 | F127 | F127-H132 WeakPolarHBondContact CZ-O 3.37Å; F127-H132 WeakPolarHBondContact O-CA 3.38Å; F127-H132 WeakPolarHBondContact O-CB 3.27Å; F127-H132 PolarHBondContact O-N 2.79Å |
| 133 | E | 90.9 | Very high | 89.7 | Confident | 163 Ų | 163 | 61.3 Ų | 61.3 | 76% | 0.762 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.3 | 175.1 | -54.3 | -168.3 | 144.2 | 0 | 0 | 113.2 | N131 T135 | N131-E133 PolarHBondContact O-N 2.77Å; N131-E133 VanDerWaalsContact O-N 3.16Å; E133-T135 PolarHBondContact O-N 3.31Å |
| 134 | M | 93.9 | Very high | 89.9 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | trans | -60.9 | 137.8 | -174.1 | -178.3 | 177.3 | -76.2 | 0 | 0 | 111.6 | F118 Y121 F127 N131 E138 F139 I142 | F118-M134 VanDerWaalsContact CZ-O 3.3Å; F118-M134 WeakPolarHBondContact CZ-O 3.49Å; Y121-M134 HydrophobicContact CE1-SD 3.9Å; F127-M134 HydrophobicContact CD2-CB 4.46Å; F127-M134 HydrophobicContact CE2-CB 4Å; N131-M134 HydrophobicContact CB-CB 4.07Å; N131-M134 HydrophobicContact CB-CE 3.66Å; N131-M134 HydrophobicContact CB-SD 4.28Å; N131-M134 WeakPolarHBondContact O-CB 3.32Å; N131-M134 PolarHBondContact O-N 2.88Å; M134-E138 HydrophobicContact CG-CB 3.66Å; M134-E138 HydrophobicContact SD-CB 4.43Å; M134-F139 HydrophobicContact SD-CB 4.13Å; M134-I142 HydrophobicContact CE-CD1 3.99Å; M134-I142 HydrophobicContact SD-CD1 3.81Å | ||
| 135 | T | 95.6 | Very high | 90.4 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | trans | -92.7 | 161.8 | 177 | 65 | 0 | 0 | 0 | 0 | 111.5 | E133 E138 F139 | E133-T135 PolarHBondContact O-N 3.31Å; T135-E138 WeakPolarHBondContact CB-OE2 3.37Å; T135-E138 PolarHBondContact N-OE2 2.89Å; T135-E138 PolarHBondContact O-N 2.93Å; T135-E138 VanDerWaalsContact O-N 3.16Å; T135-E138 VanDerWaalsContact OG1-CD 3.25Å; T135-E138 WeakPolarHBondContact OG1-CG 3.3Å; T135-E138 PolarHBondContact OG1-OE2 2.9Å; T135-F139 PolarHBondContact O-N 3.38Å | ||
| 136 | L | 94.5 | Very high | 90.8 | Very high | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.089 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -40.3 | 177.2 | -179.1 | 66 | 0 | 0 | 0 | 113.5 | E111 W114 E115 F118 E138 F139 K140 | E111-L136 WeakPolarHBondContact OE1-CD2 3.43Å; W114-L136 HydrophobicContact CB-CD1 4.22Å; W114-L136 HydrophobicContact CB-CD2 4.37Å; E115-L136 HydrophobicContact CG-CD2 4.4Å; F118-L136 HydrophobicContact CB-CD1 3.74Å; F118-L136 HydrophobicContact CD1-CB 4.15Å; F118-L136 HydrophobicContact CD1-CD1 3.79Å; F118-L136 HydrophobicContact CE1-CB 4.29Å; F118-L136 HydrophobicContact CG-CD1 3.95Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 3.05Å; L136-F139 HydrophobicContact CD1-CD1 4.04Å; L136-F139 PolarHBondContact O-N 3.48Å; L136-K140 HydrophobicContact CG-CD 4.42Å; L136-K140 WeakPolarHBondContact O-CG 3.29Å; L136-K140 PolarHBondContact O-N 2.75Å |
| 137 | P | 95.6 | Very high | 91.3 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | 174 | -27 | 36.8 | 0 | 0 | 0 | 114.2 | K140 F141 | P137-K140 WeakPolarHBondContact O-CB 3.42Å; P137-K140 PolarHBondContact O-N 2.85Å; P137-F141 PolarHBondContact O-N 3.47Å |
| 138 | E | 93.9 | Very high | 91.6 | Very high | 100 Ų | 100 | 62 Ų | 62 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 176.4 | -69.5 | 162.7 | 148.6 | 0 | 0 | 111.1 | M134 T135 L136 K140 F141 I142 | M134-E138 HydrophobicContact CG-CB 3.66Å; M134-E138 HydrophobicContact SD-CB 4.43Å; T135-E138 WeakPolarHBondContact CB-OE2 3.37Å; T135-E138 PolarHBondContact N-OE2 2.89Å; T135-E138 PolarHBondContact O-N 2.93Å; T135-E138 VanDerWaalsContact O-N 3.16Å; T135-E138 VanDerWaalsContact OG1-CD 3.25Å; T135-E138 WeakPolarHBondContact OG1-CG 3.3Å; T135-E138 PolarHBondContact OG1-OE2 2.9Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 3.05Å; E138-K140 VanDerWaalsContact C-N 3.34Å; E138-K140 PolarHBondContact O-N 3.45Å; E138-F141 WeakPolarHBondContact O-CB 3.39Å; E138-F141 PolarHBondContact O-N 3.45Å; E138-F141 VanDerWaalsContact O-N 3.15Å; E138-I142 PolarHBondContact O-N 3.04Å |
| 139 | F | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 171.5 | 174.3 | -108.8 | 0 | 0 | 0 | 112 | W114 E117 F118 Y121 M134 T135 L136 F141 I142 F143 | W114-F139 HydrophobicContact CE3-CD1 4.36Å; W114-F139 HydrophobicContact CE3-CE1 4.12Å; W114-F139 HydrophobicContact CZ3-CD1 4.47Å; W114-F139 HydrophobicContact CZ3-CE1 4.16Å; E117-F139 HydrophobicContact CB-CE1 4.13Å; E117-F139 HydrophobicContact CB-CZ 4.26Å; F118-F139 HydrophobicContact CB-CD1 3.67Å; F118-F139 HydrophobicContact CB-CE1 3.81Å; F118-F139 HydrophobicContact CB-CG 4.25Å; F118-F139 HydrophobicContact CD2-CB 3.69Å; F118-F139 AromaticContact CD2-CD1 3.81Å; F118-F139 HydrophobicContact CD2-CD1 3.81Å; F118-F139 AromaticContact CD2-CD2 3.81Å; F118-F139 HydrophobicContact CD2-CD2 3.81Å; F118-F139 HydrophobicContact CD2-CE1 4.4Å; F118-F139 HydrophobicContact CD2-CE2 4.41Å; F118-F139 AromaticContact CD2-CG 3.47Å; F118-F139 HydrophobicContact CD2-CG 3.47Å; F118-F139 VanDerWaalsContact CD2-CG 3.47Å; F118-F139 HydrophobicContact CE2-CB 3.84Å; F118-F139 HydrophobicContact CE2-CD2 4.35Å; F118-F139 HydrophobicContact CE2-CG 4.08Å; F118-F139 HydrophobicContact CG-CB 4.29Å; F118-F139 AromaticContact CG-CD1 3.95Å; F118-F139 HydrophobicContact CG-CD1 3.95Å; F118-F139 HydrophobicContact CG-CE1 4.48Å; F118-F139 HydrophobicContact CG-CG 4.06Å; Y121-F139 VanDerWaalsContact CB-CE2 3.47Å; Y121-F139 AromaticContact CD1-CD2 3.55Å; Y121-F139 HydrophobicContact CD1-CD2 3.55Å; Y121-F139 AromaticContact CD1-CE2 3.76Å; Y121-F139 HydrophobicContact CD1-CE2 3.76Å; Y121-F139 HydrophobicContact CD2-CE2 4.13Å; Y121-F139 HydrophobicContact CE1-CD2 4.1Å; Y121-F139 AromaticContact CG-CD2 3.84Å; Y121-F139 HydrophobicContact CG-CD2 3.84Å; Y121-F139 AromaticContact CG-CE2 3.52Å; Y121-F139 HydrophobicContact CG-CE2 3.52Å; M134-F139 HydrophobicContact SD-CB 4.13Å; T135-F139 PolarHBondContact O-N 3.38Å; L136-F139 HydrophobicContact CD1-CD1 4.04Å; L136-F139 PolarHBondContact O-N 3.48Å; F139-F141 PolarHBondContact O-N 3.48Å; F139-I142 HydrophobicContact CD2-CD1 4.15Å; F139-I142 HydrophobicContact CD2-CG1 4.22Å; F139-I142 WeakPolarHBondContact O-CG1 3.39Å; F139-I142 PolarHBondContact O-N 2.97Å; F139-F143 HydrophobicContact CE1-CD2 4.25Å; F139-F143 HydrophobicContact CZ-CB 4.48Å; F139-F143 AromaticContact CZ-CD2 3.85Å; F139-F143 HydrophobicContact CZ-CD2 3.85Å; F139-F143 VanDerWaalsContact O-CB 3.3Å; F139-F143 WeakPolarHBondContact O-CB 3.31Å; F139-F143 PolarHBondContact O-N 3.45Å |
| 140 | K | 94.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 55 Ų | 55 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.2 | -39.8 | 176 | -77.2 | 172.5 | 177.2 | 172.1 | 0 | 111.1 | E111 W114 L136 P137 E138 Y144 | E111-K140 IonicContact OE1-NZ 3.52Å; E111-K140 IonicContact OE2-NZ 3.36Å; E111-K140 PolarHBondContact OE2-NZ 3.25Å; W114-K140 VanDerWaalsContact CD1-CE 3.46Å; W114-K140 HydrophobicContact CD2-CD 4.17Å; W114-K140 VanDerWaalsContact CD2-CE 3.44Å; W114-K140 HydrophobicContact CD2-CG 3.8Å; W114-K140 HydrophobicContact CE3-CG 3.69Å; W114-K140 HydrophobicContact CG-CD 4.45Å; W114-K140 HydrophobicContact CH2-CB 4.49Å; W114-K140 HydrophobicContact CH2-CG 4.03Å; W114-K140 HydrophobicContact CZ2-CG 4.13Å; W114-K140 HydrophobicContact CZ3-CB 4.47Å; W114-K140 HydrophobicContact CZ3-CG 3.81Å; L136-K140 HydrophobicContact CG-CD 4.42Å; L136-K140 WeakPolarHBondContact O-CG 3.29Å; L136-K140 PolarHBondContact O-N 2.75Å; P137-K140 WeakPolarHBondContact O-CB 3.42Å; P137-K140 PolarHBondContact O-N 2.85Å; E138-K140 VanDerWaalsContact C-N 3.34Å; E138-K140 PolarHBondContact O-N 3.45Å; K140-Y144 WeakPolarHBondContact O-CD2 3.3Å; K140-Y144 PolarHBondContact O-N 3Å |
| 141 | F | 94.2 | Very high | 93 | Very high | 114 Ų | 114 | 53.5 Ų | 53.5 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.2 | -53.3 | 177.6 | 173.2 | -98.5 | 0 | 0 | 0 | 112.3 | T90 P137 E138 F139 F143 Y144 M145 | T90-F141 HydrophobicContact CG2-CE1 4.24Å; T90-F141 HydrophobicContact CG2-CZ 4.3Å; P137-F141 PolarHBondContact O-N 3.47Å; E138-F141 WeakPolarHBondContact O-CB 3.39Å; E138-F141 PolarHBondContact O-N 3.45Å; E138-F141 VanDerWaalsContact O-N 3.15Å; F139-F141 PolarHBondContact O-N 3.48Å; F141-F143 VanDerWaalsContact C-N 3.3Å; F141-F143 PolarHBondContact O-N 3.25Å; F141-Y144 PolarHBondContact O-N 3.48Å; F141-M145 HydrophobicContact CE1-CG 4.31Å; F141-M145 HydrophobicContact CE2-CG 4.34Å; F141-M145 HydrophobicContact CZ-CG 4.1Å; F141-M145 PolarHBondContact O-N 3.27Å; F141-M145 VanDerWaalsContact O-N 3.12Å |
| 142 | I | 92.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | -180 | 63.2 | 170.1 | 0 | 0 | 0 | 111.4 | S92 S95 Y121 M134 E138 F139 Y144 M145 E146 | S92-I142 WeakPolarHBondContact CB-O 3.45Å; S92-I142 WeakPolarHBondContact OG-CG2 3.49Å; S95-I142 PolarHBondContact OG-O 3.31Å; Y121-I142 HydrophobicContact CE1-CD1 4.06Å; Y121-I142 HydrophobicContact CE2-CD1 4.42Å; M134-I142 HydrophobicContact CE-CD1 3.99Å; M134-I142 HydrophobicContact SD-CD1 3.81Å; E138-I142 PolarHBondContact O-N 3.04Å; F139-I142 HydrophobicContact CD2-CD1 4.15Å; F139-I142 HydrophobicContact CD2-CG1 4.22Å; F139-I142 WeakPolarHBondContact O-CG1 3.39Å; F139-I142 PolarHBondContact O-N 2.97Å; I142-Y144 PolarHBondContact O-N 3.02Å; I142-M145 WeakPolarHBondContact O-CB 3.41Å; I142-M145 PolarHBondContact O-N 3.3Å; I142-E146 PolarHBondContact O-N 3.3Å |
| 143 | F | 93.1 | Very high | 93.7 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 175.6 | -173.3 | -78.5 | 0 | 0 | 0 | 111.7 | S95 M96 P107 P108 W114 F139 F141 M145 E146 W147 | S95-F143 WeakPolarHBondContact OG-CA 3.42Å; M96-F143 HydrophobicContact CE-CE2 4.31Å; M96-F143 HydrophobicContact CE-CZ 3.9Å; M96-F143 HydrophobicContact CG-CD2 3.84Å; M96-F143 HydrophobicContact CG-CE2 3.66Å; M96-F143 HydrophobicContact CG-CG 4.41Å; M96-F143 HydrophobicContact CG-CZ 4.05Å; M96-F143 HydrophobicContact SD-CE1 4.38Å; M96-F143 HydrophobicContact SD-CE2 4.36Å; M96-F143 HydrophobicContact SD-CZ 4.14Å; P107-F143 HydrophobicContact CB-CE1 3.98Å; P108-F143 HydrophobicContact CG-CE1 4.5Å; P108-F143 HydrophobicContact CG-CZ 4.14Å; W114-F143 HydrophobicContact CH2-CB 4.28Å; W114-F143 AromaticContact CH2-CD1 3.52Å; W114-F143 HydrophobicContact CH2-CD1 3.52Å; W114-F143 HydrophobicContact CH2-CE1 4Å; W114-F143 AromaticContact CH2-CG 3.92Å; W114-F143 HydrophobicContact CH2-CG 3.92Å; W114-F143 HydrophobicContact CZ3-CB 3.99Å; W114-F143 AromaticContact CZ3-CD1 3.78Å; W114-F143 HydrophobicContact CZ3-CD1 3.78Å; W114-F143 HydrophobicContact CZ3-CD2 4.13Å; W114-F143 HydrophobicContact CZ3-CE1 4.3Å; W114-F143 AromaticContact CZ3-CG 3.69Å; W114-F143 HydrophobicContact CZ3-CG 3.69Å; F139-F143 HydrophobicContact CE1-CD2 4.25Å; F139-F143 HydrophobicContact CZ-CB 4.48Å; F139-F143 AromaticContact CZ-CD2 3.85Å; F139-F143 HydrophobicContact CZ-CD2 3.85Å; F139-F143 VanDerWaalsContact O-CB 3.3Å; F139-F143 WeakPolarHBondContact O-CB 3.31Å; F139-F143 PolarHBondContact O-N 3.45Å; F141-F143 VanDerWaalsContact C-N 3.3Å; F141-F143 PolarHBondContact O-N 3.25Å; F143-M145 VanDerWaalsContact C-N 3.29Å; F143-M145 PolarHBondContact O-N 3.45Å; F143-E146 PolarHBondContact O-N 3.39Å; F143-W147 HydrophobicContact CD1-CB 4.23Å; F143-W147 HydrophobicContact CE1-CB 4.11Å; F143-W147 HydrophobicContact CE1-CG 4.42Å; F143-W147 WeakPolarHBondContact O-CB 3.48Å; F143-W147 PolarHBondContact O-N 3.37Å |
| 144 | Y | 94.1 | Very high | 93.8 | Very high | 112 Ų | 112 | 47 Ų | 47 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.5 | -33.1 | 179.7 | -82.8 | -58.6 | 0 | 0 | 0 | 112.8 | P107 W114 K140 F141 I142 W147 G148 | P107-Y144 HydrophobicContact CB-CE1 4.02Å; P107-Y144 HydrophobicContact CG-CE1 4.11Å; W114-Y144 HydrophobicContact CH2-CE2 4.06Å; W114-Y144 HydrophobicContact CZ2-CE1 4.49Å; W114-Y144 AromaticContact CZ2-CE2 3.87Å; W114-Y144 HydrophobicContact CZ2-CE2 3.87Å; W114-Y144 AromaticContact CZ2-CZ 3.72Å; K140-Y144 WeakPolarHBondContact O-CD2 3.3Å; K140-Y144 PolarHBondContact O-N 3Å; F141-Y144 PolarHBondContact O-N 3.48Å; I142-Y144 PolarHBondContact O-N 3.02Å; Y144-W147 HydrophobicContact CD1-CE3 4.38Å; Y144-G148 PolarHBondContact O-N 2.9Å |
| 145 | M | 93.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 16% | 0.163 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 174.5 | -76.9 | -57 | -51.8 | 0 | 0 | 111.8 | L83 V86 T87 F141 I142 F143 H149 | L83-M145 HydrophobicContact CD1-CE 3.87Å; V86-M145 HydrophobicContact CB-CE 3.86Å; V86-M145 HydrophobicContact CG1-CE 3.48Å; V86-M145 VanDerWaalsContact CG1-CE 3.48Å; T87-M145 PolarHBondContact OG1-O 2.94Å; F141-M145 HydrophobicContact CE1-CG 4.31Å; F141-M145 HydrophobicContact CE2-CG 4.34Å; F141-M145 HydrophobicContact CZ-CG 4.1Å; F141-M145 PolarHBondContact O-N 3.27Å; F141-M145 VanDerWaalsContact O-N 3.12Å; I142-M145 WeakPolarHBondContact O-CB 3.41Å; I142-M145 PolarHBondContact O-N 3.3Å; F143-M145 VanDerWaalsContact C-N 3.29Å; F143-M145 PolarHBondContact O-N 3.45Å; M145-H149 PolarHBondContact O-N 3.07Å; M145-H149 VanDerWaalsContact O-N 3.13Å |
| 146 | E | 91.8 | Very high | 94 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.8 | -46.2 | 177.1 | -163.3 | -177.5 | 156.8 | 0 | 0 | 112.2 | T87 S92 L94 S95 M96 I142 F143 G148 H149 R150 | T87-E146 HydrophobicContact CG2-CB 4.32Å; S92-E146 WeakPolarHBondContact O-CB 3.44Å; S92-E146 VanDerWaalsContact O-OE2 3.07Å; L94-E146 PolarHBondContact N-OE2 3.42Å; S95-E146 WeakPolarHBondContact CA-OE2 3.07Å; S95-E146 PolarHBondContact N-OE2 3.36Å; S95-E146 WeakPolarHBondContact OG-CB 3.4Å; S95-E146 PolarHBondContact OG-OE2 2.98Å; M96-E146 HydrophobicContact CG-CB 4.32Å; M96-E146 HydrophobicContact CG-CG 4.43Å; M96-E146 PolarHBondContact N-OE2 2.68Å; M96-E146 HydrophobicContact SD-CB 4.49Å; I142-E146 PolarHBondContact O-N 3.3Å; F143-E146 PolarHBondContact O-N 3.39Å; E146-G148 VanDerWaalsContact C-N 3.29Å; E146-G148 PolarHBondContact O-N 2.88Å; E146-H149 PolarHBondContact O-N 2.72Å; E146-H149 VanDerWaalsContact O-N 3.14Å; E146-R150 HydrophobicContact CG-CG 4.39Å; E146-R150 WeakPolarHBondContact O-CB 3.28Å; E146-R150 WeakPolarHBondContact O-CG 3.4Å; E146-R150 PolarHBondContact O-N 2.83Å; E146-R150 IonicContact OE1-CZ 2.78Å; E146-R150 IonicContact OE1-NE 3.05Å; E146-R150 PolarHBondContact OE1-NE 3.28Å; E146-R150 IonicContact OE1-NH2 3.52Å; E146-R150 PolarHBondContact OE1-NH2 2.9Å |
| 147 | W | 92.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 25% | 0.25 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.5 | -46.8 | 176.5 | 175.9 | 87.5 | 0 | 0 | 0 | 110.8 | M96 E104 M105 P107 F143 Y144 H149 R150 M151 | M96-W147 VanDerWaalsContact SD-CA 3.58Å; M96-W147 HydrophobicContact SD-CB 3.74Å; M96-W147 HydrophobicContact SD-CG 4.49Å; E104-W147 PolarHBondContact O-NE1 2.98Å; M105-W147 PolarHBondContact O-NE1 2.88Å; P107-W147 HydrophobicContact CG-CZ2 4.27Å; F143-W147 HydrophobicContact CD1-CB 4.23Å; F143-W147 HydrophobicContact CE1-CB 4.11Å; F143-W147 HydrophobicContact CE1-CG 4.42Å; F143-W147 WeakPolarHBondContact O-CB 3.48Å; F143-W147 PolarHBondContact O-N 3.37Å; Y144-W147 HydrophobicContact CD1-CE3 4.38Å; W147-H149 VanDerWaalsContact C-N 3.35Å; W147-H149 PolarHBondContact O-N 2.83Å; W147-R150 PolarHBondContact O-N 3.39Å; W147-M151 HydrophobicContact CD2-CG 3.85Å; W147-M151 VanDerWaalsContact CE2-CG 3.42Å; W147-M151 HydrophobicContact CE3-CG 4.29Å; W147-M151 HydrophobicContact CG-CG 4.4Å; W147-M151 HydrophobicContact CH2-CG 4Å; W147-M151 HydrophobicContact CZ2-CG 3.52Å; W147-M151 HydrophobicContact CZ2-SD 4.35Å; W147-M151 HydrophobicContact CZ3-CG 4.36Å; W147-M151 WeakPolarHBondContact O-CB 3.32Å; W147-M151 WeakPolarHBondContact O-CG 3.26Å; W147-M151 PolarHBondContact O-N 2.91Å |
| 148 | G | 94.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 46.7 Ų | 46.7 | 19% | 0.186 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L83 Y144 E146 M151 W152 | L83-G148 WeakPolarHBondContact CD2-O 3.48Å; Y144-G148 PolarHBondContact O-N 2.9Å; E146-G148 VanDerWaalsContact C-N 3.29Å; E146-G148 PolarHBondContact O-N 2.88Å; G148-M151 PolarHBondContact O-N 2.98Å; G148-W152 WeakPolarHBondContact O-CB 3.28Å; G148-W152 PolarHBondContact O-N 2.87Å |
| 149 | H | 93.7 | Very high | 94.3 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 176.7 | -174.2 | 61.3 | 0 | 0 | 0 | 112.3 | A80 L83 G84 M145 E146 W147 M151 W152 G153 | A80-H149 PolarHBondContact O-CE1 2.81Å; A80-H149 PolarHBondContact O-ND1 3.35Å; L83-H149 HydrophobicContact CD2-CB 4.31Å; L83-H149 HydrophobicContact CG-CB 3.99Å; G84-H149 WeakPolarHBondContact CA-CE1 3.31Å; G84-H149 VanDerWaalsContact CA-ND1 3.28Å; G84-H149 WeakPolarHBondContact CA-ND1 3.48Å; G84-H149 PolarHBondContact N-CE1 3.39Å; G84-H149 PolarHBondContact N-ND1 2.87Å; G84-H149 VanDerWaalsContact N-ND1 3.11Å; M145-H149 PolarHBondContact O-N 3.07Å; M145-H149 VanDerWaalsContact O-N 3.13Å; E146-H149 PolarHBondContact O-N 2.72Å; E146-H149 VanDerWaalsContact O-N 3.14Å; W147-H149 VanDerWaalsContact C-N 3.35Å; W147-H149 PolarHBondContact O-N 2.83Å; H149-M151 PolarHBondContact O-N 3.18Å; H149-W152 PolarHBondContact O-N 2.99Å; H149-G153 PolarHBondContact O-N 3.11Å |
| 150 | R | 91.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 10% | 0.102 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 177.1 | -73.1 | -177.6 | 176 | -149 | 3.8 | 112.3 | M96 D98 E104 E146 W147 G153 R154 | M96-R150 PolarHBondContact O-NH2 2.99Å; D98-R150 PolarHBondContact O-NH1 2.67Å; E104-R150 IonicContact OE2-NH1 3.24Å; E104-R150 PolarHBondContact OE2-NH1 3.05Å; E146-R150 HydrophobicContact CG-CG 4.39Å; E146-R150 WeakPolarHBondContact O-CB 3.28Å; E146-R150 WeakPolarHBondContact O-CG 3.4Å; E146-R150 PolarHBondContact O-N 2.83Å; E146-R150 IonicContact OE1-CZ 2.78Å; E146-R150 IonicContact OE1-NE 3.05Å; E146-R150 PolarHBondContact OE1-NE 3.28Å; E146-R150 IonicContact OE1-NH2 3.52Å; E146-R150 PolarHBondContact OE1-NH2 2.9Å; W147-R150 PolarHBondContact O-N 3.39Å; R150-G153 PolarHBondContact O-N 2.68Å; R150-R154 PolarHBondContact O-N 3.14Å; R150-R154 PolarHBondContact O-NH1 3.07Å; R150-R154 VanDerWaalsContact O-NH1 3.1Å |
| 151 | M | 93.6 | Very high | 94.7 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.4 | -39.9 | 175.8 | -72 | -48.2 | 114 | 0 | 0 | 111.6 | E104 M105 W147 G148 H149 G153 R154 L155 | E104-M151 WeakPolarHBondContact O-CE 3.49Å; M105-M151 HydrophobicContact CB-SD 4.26Å; M105-M151 HydrophobicContact CG-CE 4.42Å; M105-M151 HydrophobicContact CG-SD 4.12Å; W147-M151 HydrophobicContact CD2-CG 3.85Å; W147-M151 VanDerWaalsContact CE2-CG 3.42Å; W147-M151 HydrophobicContact CE3-CG 4.29Å; W147-M151 HydrophobicContact CG-CG 4.4Å; W147-M151 HydrophobicContact CH2-CG 4Å; W147-M151 HydrophobicContact CZ2-CG 3.52Å; W147-M151 HydrophobicContact CZ2-SD 4.35Å; W147-M151 HydrophobicContact CZ3-CG 4.36Å; W147-M151 WeakPolarHBondContact O-CB 3.32Å; W147-M151 WeakPolarHBondContact O-CG 3.26Å; W147-M151 PolarHBondContact O-N 2.91Å; G148-M151 PolarHBondContact O-N 2.98Å; H149-M151 PolarHBondContact O-N 3.18Å; M151-G153 VanDerWaalsContact C-N 3.32Å; M151-G153 PolarHBondContact O-N 3.24Å; M151-R154 WeakPolarHBondContact O-CB 3.33Å; M151-R154 PolarHBondContact O-N 3.42Å; M151-L155 PolarHBondContact O-N 2.89Å |
| 152 | W | 96.1 | Very high | 94.8 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.2 | -162.2 | -83 | 0 | 0 | 0 | 111.9 | L76 A80 L83 G148 H149 R154 L155 V156 | L76-W152 HydrophobicContact CD2-CH2 4.48Å; L76-W152 HydrophobicContact CD2-CZ2 3.81Å; L76-W152 PolarHBondContact O-NE1 2.89Å; A80-W152 VanDerWaalsContact N-NE1 3.19Å; L83-W152 HydrophobicContact CD2-CB 3.9Å; L83-W152 HydrophobicContact CD2-CG 4.29Å; G148-W152 WeakPolarHBondContact O-CB 3.28Å; G148-W152 PolarHBondContact O-N 2.87Å; H149-W152 PolarHBondContact O-N 2.99Å; W152-R154 VanDerWaalsContact C-N 3.34Å; W152-R154 PolarHBondContact O-N 3.13Å; W152-L155 WeakPolarHBondContact O-CB 3.11Å; W152-L155 PolarHBondContact O-N 3.21Å; W152-V156 WeakPolarHBondContact O-CG2 3.41Å; W152-V156 PolarHBondContact O-N 2.74Å |
| 153 | G | 94.2 | Very high | 95.1 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.5 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H149 R150 M151 V156 G157 | H149-G153 PolarHBondContact O-N 3.11Å; R150-G153 PolarHBondContact O-N 2.68Å; M151-G153 VanDerWaalsContact C-N 3.32Å; M151-G153 PolarHBondContact O-N 3.24Å; G153-V156 WeakPolarHBondContact O-CB 3.23Å; G153-V156 PolarHBondContact O-N 3.35Å; G153-G157 PolarHBondContact O-N 3.38Å |
| 154 | R | 93.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.9 | -69.6 | 176.3 | 178.6 | 80.8 | -10.7 | 111.8 | H100 L101 R150 M151 W152 V156 G157 L158 | H100-R154 PolarHBondContact O-NH2 3.09Å; L101-R154 PolarHBondContact O-NE 3.1Å; L101-R154 PolarHBondContact O-NH2 3.26Å; R150-R154 PolarHBondContact O-N 3.14Å; R150-R154 PolarHBondContact O-NH1 3.07Å; R150-R154 VanDerWaalsContact O-NH1 3.1Å; M151-R154 WeakPolarHBondContact O-CB 3.33Å; M151-R154 PolarHBondContact O-N 3.42Å; W152-R154 VanDerWaalsContact C-N 3.34Å; W152-R154 PolarHBondContact O-N 3.13Å; R154-V156 VanDerWaalsContact C-N 3.34Å; R154-V156 PolarHBondContact O-N 3.21Å; R154-G157 WeakPolarHBondContact O-CA 3.17Å; R154-G157 PolarHBondContact O-N 2.82Å; R154-G157 VanDerWaalsContact O-N 3.12Å; R154-L158 WeakPolarHBondContact O-CG 3.41Å; R154-L158 PolarHBondContact O-N 3.29Å |
| 155 | L | 96.2 | Very high | 95.4 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -43 | 175.2 | 176.8 | 62 | 0 | 0 | 0 | 111.6 | L76 M151 W152 G157 L158 A159 | L76-L155 HydrophobicContact CD2-CD2 4.05Å; L76-L155 HydrophobicContact CD2-CG 4.42Å; M151-L155 PolarHBondContact O-N 2.89Å; W152-L155 WeakPolarHBondContact O-CB 3.11Å; W152-L155 PolarHBondContact O-N 3.21Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 2.9Å; L155-L158 PolarHBondContact O-N 2.58Å; L155-A159 VanDerWaalsContact O-CB 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.33Å; L155-A159 PolarHBondContact O-N 2.8Å |
| 156 | V | 97.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 172.1 | 173 | 0 | 0 | 0 | 0 | 109.9 | L76 V77 A80 W152 G153 R154 L158 A159 Y160 V188 | L76-V156 HydrophobicContact CB-CG2 3.9Å; V77-V156 HydrophobicContact CG2-CG1 4.14Å; A80-V156 HydrophobicContact CB-CG2 4.35Å; W152-V156 WeakPolarHBondContact O-CG2 3.41Å; W152-V156 PolarHBondContact O-N 2.74Å; G153-V156 WeakPolarHBondContact O-CB 3.23Å; G153-V156 PolarHBondContact O-N 3.35Å; R154-V156 VanDerWaalsContact C-N 3.34Å; R154-V156 PolarHBondContact O-N 3.21Å; V156-L158 PolarHBondContact O-N 2.98Å; V156-A159 PolarHBondContact O-N 3.19Å; V156-Y160 HydrophobicContact CG1-CD2 3.97Å; V156-Y160 HydrophobicContact CG1-CE2 3.94Å; V156-Y160 WeakPolarHBondContact O-CD2 3.49Å; V156-Y160 PolarHBondContact O-N 3.34Å; V156-V188 HydrophobicContact CG1-CG1 4.5Å |
| 157 | G | 96.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 48 Ų | 48 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -48.5 | -56.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G153 R154 L155 A159 Y160 I161 | G153-G157 PolarHBondContact O-N 3.38Å; R154-G157 WeakPolarHBondContact O-CA 3.17Å; R154-G157 PolarHBondContact O-N 2.82Å; R154-G157 VanDerWaalsContact O-N 3.12Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 2.9Å; G157-A159 PolarHBondContact O-N 2.7Å; G157-Y160 PolarHBondContact O-N 3.21Å; G157-I161 WeakPolarHBondContact O-CB 3.37Å; G157-I161 VanDerWaalsContact O-CG1 3.27Å; G157-I161 WeakPolarHBondContact O-CG1 3.36Å; G157-I161 PolarHBondContact O-N 3.34Å |
| 158 | L | 96.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | -179.5 | -66.4 | 174.7 | 0 | 0 | 0 | 112.4 | R154 L155 V156 Y160 I161 L162 P163 | R154-L158 WeakPolarHBondContact O-CG 3.41Å; R154-L158 PolarHBondContact O-N 3.29Å; L155-L158 PolarHBondContact O-N 2.58Å; V156-L158 PolarHBondContact O-N 2.98Å; L158-Y160 VanDerWaalsContact C-N 3.29Å; L158-Y160 PolarHBondContact O-N 3.48Å; L158-I161 PolarHBondContact O-N 2.92Å; L158-L162 HydrophobicContact CB-CD1 4.3Å; L158-L162 HydrophobicContact CD2-CD1 4.17Å; L158-L162 HydrophobicContact CD2-CG 4.38Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 PolarHBondContact O-N 2.81Å; L158-P163 WeakPolarHBondContact O-CD 3.49Å |
| 159 | A | 97.8 | Very high | 96 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.8 | -29.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W69 C73 L76 L155 V156 G157 P163 | W69-A159 PolarHBondContact NE1-O 2.92Å; C73-A159 PolarHBondContact SG-O 2.89Å; L76-A159 HydrophobicContact CD1-CB 3.3Å; L155-A159 VanDerWaalsContact O-CB 3.23Å; L155-A159 WeakPolarHBondContact O-CB 3.33Å; L155-A159 PolarHBondContact O-N 2.8Å; V156-A159 PolarHBondContact O-N 3.19Å; G157-A159 PolarHBondContact O-N 2.7Å; A159-P163 WeakPolarHBondContact O-CD 3.49Å; A159-P163 VanDerWaalsContact O-CG 3.28Å; A159-P163 WeakPolarHBondContact O-CG 3.44Å |
| 160 | Y | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -80.7 | -50.6 | 169.9 | -84.2 | -96.6 | 0 | 0 | 0 | 111.6 | W69 C73 V77 V156 G157 L158 A164 L184 V188 L230 S234 | W69-Y160 VanDerWaalsContact CZ2-O 3.32Å; W69-Y160 WeakPolarHBondContact CZ2-O 3.31Å; C73-Y160 HydrophobicContact CB-CD2 4.05Å; C73-Y160 HydrophobicContact CB-CE1 4.03Å; C73-Y160 HydrophobicContact CB-CE2 3.49Å; C73-Y160 VanDerWaalsContact CB-CE2 3.49Å; C73-Y160 VanDerWaalsContact CB-CZ 3.49Å; V77-Y160 HydrophobicContact CG2-CE2 4.14Å; V156-Y160 HydrophobicContact CG1-CD2 3.97Å; V156-Y160 HydrophobicContact CG1-CE2 3.94Å; V156-Y160 WeakPolarHBondContact O-CD2 3.49Å; V156-Y160 PolarHBondContact O-N 3.34Å; G157-Y160 PolarHBondContact O-N 3.21Å; L158-Y160 VanDerWaalsContact C-N 3.29Å; L158-Y160 PolarHBondContact O-N 3.48Å; Y160-A164 WeakPolarHBondContact O-CB 3.41Å; Y160-A164 PolarHBondContact O-N 3.34Å; Y160-L184 HydrophobicContact CD1-CB 4.29Å; Y160-L184 HydrophobicContact CE1-CB 4.11Å; Y160-V188 HydrophobicContact CD1-CG2 4.02Å; Y160-V188 HydrophobicContact CD2-CG2 3.68Å; Y160-V188 HydrophobicContact CE1-CG2 4.33Å; Y160-V188 HydrophobicContact CE2-CG2 4Å; Y160-V188 HydrophobicContact CG-CG2 3.67Å; Y160-L230 HydrophobicContact CE1-CD1 4.11Å; Y160-S234 WeakPolarHBondContact CE1-OG 3.3Å; Y160-S234 VanDerWaalsContact OH-CB 3.3Å; Y160-S234 WeakPolarHBondContact OH-CB 3.18Å; Y160-S234 PolarHBondContact OH-OG 3.17Å |
| 161 | I | 97.2 | Very high | 96.1 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 45% | 0.451 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.5 | -46.7 | -166.4 | -64.5 | 166.8 | 0 | 0 | 0 | 112.2 | G157 L158 A164 A165 | G157-I161 WeakPolarHBondContact O-CB 3.37Å; G157-I161 VanDerWaalsContact O-CG1 3.27Å; G157-I161 WeakPolarHBondContact O-CG1 3.36Å; G157-I161 PolarHBondContact O-N 3.34Å; L158-I161 PolarHBondContact O-N 2.92Å; I161-A164 PolarHBondContact O-N 3.01Å; I161-A165 PolarHBondContact O-N 3.37Å |
| 162 | L | 97.6 | Very high | 96.1 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.3 | -49.8 | -173.5 | -60.7 | 177.6 | 0 | 0 | 0 | 112.6 | L158 A164 A165 Y166 | L158-L162 HydrophobicContact CB-CD1 4.3Å; L158-L162 HydrophobicContact CD2-CD1 4.17Å; L158-L162 HydrophobicContact CD2-CG 4.38Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 PolarHBondContact O-N 2.81Å; L162-A164 VanDerWaalsContact C-N 3.32Å; L162-A164 PolarHBondContact O-N 3.25Å; L162-A165 PolarHBondContact O-N 3.43Å; L162-Y166 PolarHBondContact O-N 3.19Å; L162-Y166 VanDerWaalsContact O-N 3.07Å |
| 163 | P | 97.4 | Very high | 96 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 22% | 0.221 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 176.8 | -20.4 | 35.8 | 0 | 0 | 0 | 112.1 | W69 L158 A159 Y166 F167 | W69-P163 HydrophobicContact CD2-CB 4.26Å; W69-P163 HydrophobicContact CG-CB 4.27Å; W69-P163 HydrophobicContact CZ2-CB 4.3Å; L158-P163 WeakPolarHBondContact O-CD 3.49Å; A159-P163 WeakPolarHBondContact O-CD 3.49Å; A159-P163 VanDerWaalsContact O-CG 3.28Å; A159-P163 WeakPolarHBondContact O-CG 3.44Å; P163-Y166 PolarHBondContact O-N 2.98Å; P163-F167 HydrophobicContact CB-CD2 4.37Å; P163-F167 HydrophobicContact CB-CE2 3.92Å; P163-F167 HydrophobicContact CB-CZ 4.3Å; P163-F167 WeakPolarHBondContact O-CB 3.31Å; P163-F167 WeakPolarHBondContact O-CD2 3.48Å; P163-F167 WeakPolarHBondContact O-CG 3.42Å; P163-F167 PolarHBondContact O-N 3.45Å |
| 164 | A | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W69 Y160 I161 L162 Y166 F167 W168 V181 | W69-A164 HydrophobicContact CH2-CB 3.82Å; W69-A164 HydrophobicContact CZ2-CB 4.02Å; Y160-A164 WeakPolarHBondContact O-CB 3.41Å; Y160-A164 PolarHBondContact O-N 3.34Å; I161-A164 PolarHBondContact O-N 3.01Å; L162-A164 VanDerWaalsContact C-N 3.32Å; L162-A164 PolarHBondContact O-N 3.25Å; A164-Y166 VanDerWaalsContact C-N 3.34Å; A164-Y166 PolarHBondContact O-N 3.33Å; A164-F167 PolarHBondContact O-N 2.99Å; A164-W168 VanDerWaalsContact O-CB 3.29Å; A164-W168 WeakPolarHBondContact O-CB 3.48Å; A164-W168 PolarHBondContact O-N 3.35Å; A164-V181 HydrophobicContact CB-CG1 3.66Å |
| 165 | A | 97.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 67.5 Ų | 67.5 | 51% | 0.512 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I161 L162 W168 K169 | I161-A165 PolarHBondContact O-N 3.37Å; L162-A165 PolarHBondContact O-N 3.43Å; A165-W168 PolarHBondContact O-N 3.45Å; A165-K169 PolarHBondContact O-N 3.33Å |
| 166 | Y | 97 | Very high | 95.5 | Very high | 114 Ų | 114 | 67.3 Ų | 67.3 | 45% | 0.447 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -51 | 176.3 | 172.7 | -95.2 | 0 | 0 | 0 | 112.3 | L162 P163 A164 W168 K169 K170 | L162-Y166 PolarHBondContact O-N 3.19Å; L162-Y166 VanDerWaalsContact O-N 3.07Å; P163-Y166 PolarHBondContact O-N 2.98Å; A164-Y166 VanDerWaalsContact C-N 3.34Å; A164-Y166 PolarHBondContact O-N 3.33Å; Y166-W168 VanDerWaalsContact C-N 3.28Å; Y166-W168 PolarHBondContact O-N 3.28Å; Y166-K169 PolarHBondContact O-N 2.89Å; Y166-K170 HydrophobicContact CD1-CG 4.42Å; Y166-K170 HydrophobicContact CD2-CG 4.39Å; Y166-K170 HydrophobicContact CE1-CG 3.94Å; Y166-K170 HydrophobicContact CE2-CG 3.95Å; Y166-K170 WeakPolarHBondContact O-CB 3.2Å; Y166-K170 WeakPolarHBondContact O-CG 3.3Å; Y166-K170 PolarHBondContact O-N 3.32Å |
| 167 | F | 96.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 8% | 0.075 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -33.2 | 179.3 | -66.8 | -27.7 | 0 | 0 | 0 | 112.5 | I65 V66 W69 P163 A164 K170 G171 Y172 F173 | I65-F167 HydrophobicContact CG2-CE1 3.93Å; I65-F167 HydrophobicContact CG2-CZ 3.85Å; V66-F167 HydrophobicContact CG2-CD2 4.17Å; V66-F167 HydrophobicContact CG2-CE2 4.43Å; V66-F167 HydrophobicContact CG2-CG 4.45Å; W69-F167 HydrophobicContact CB-CE2 3.94Å; W69-F167 HydrophobicContact CB-CZ 4.38Å; W69-F167 HydrophobicContact CD2-CD2 4.14Å; W69-F167 AromaticContact CD2-CE2 3.59Å; W69-F167 HydrophobicContact CD2-CE2 3.59Å; W69-F167 AromaticContact CE3-CD2 3.72Å; W69-F167 HydrophobicContact CE3-CD2 3.72Å; W69-F167 AromaticContact CE3-CE2 3.53Å; W69-F167 HydrophobicContact CE3-CE2 3.53Å; W69-F167 AromaticContact CG-CE2 3.77Å; W69-F167 HydrophobicContact CG-CE2 3.77Å; W69-F167 AromaticContact CZ3-CD2 3.97Å; W69-F167 HydrophobicContact CZ3-CD2 3.97Å; W69-F167 HydrophobicContact CZ3-CE2 4.25Å; P163-F167 HydrophobicContact CB-CD2 4.37Å; P163-F167 HydrophobicContact CB-CE2 3.92Å; P163-F167 HydrophobicContact CB-CZ 4.3Å; P163-F167 WeakPolarHBondContact O-CB 3.31Å; P163-F167 WeakPolarHBondContact O-CD2 3.48Å; P163-F167 WeakPolarHBondContact O-CG 3.42Å; P163-F167 PolarHBondContact O-N 3.45Å; A164-F167 PolarHBondContact O-N 2.99Å; F167-K170 PolarHBondContact O-N 3.22Å; F167-G171 PolarHBondContact O-N 2.92Å; F167-G171 VanDerWaalsContact O-N 3.1Å; F167-Y172 HydrophobicContact CB-CD2 4.41Å; F167-Y172 AromaticContact CD1-CD2 3.37Å; F167-Y172 HydrophobicContact CD1-CD2 3.37Å; F167-Y172 AromaticContact CD1-CE2 3.81Å; F167-Y172 HydrophobicContact CD1-CE2 3.81Å; F167-Y172 HydrophobicContact CD1-CG 4.24Å; F167-Y172 AromaticContact CE1-CD2 3.92Å; F167-Y172 HydrophobicContact CE1-CD2 3.92Å; F167-Y172 HydrophobicContact CE1-CE2 4.03Å; F167-Y172 HydrophobicContact CG-CD2 4.07Å; F167-Y172 PolarHBondContact O-N 3.37Å; F167-F173 HydrophobicContact CB-CD1 4.48Å; F167-F173 HydrophobicContact CB-CD2 4.47Å; F167-F173 HydrophobicContact CB-CE1 3.74Å; F167-F173 HydrophobicContact CB-CE2 3.73Å; F167-F173 HydrophobicContact CB-CZ 3.31Å; F167-F173 HydrophobicContact CD2-CE1 4.15Å; F167-F173 AromaticContact CD2-CZ 3.95Å; F167-F173 HydrophobicContact CD2-CZ 3.95Å; F167-F173 HydrophobicContact CG-CE1 4.35Å; F167-F173 HydrophobicContact CG-CZ 4.12Å |
| 168 | W | 95.4 | Very high | 95.3 | Very high | 97 Ų | 97 | 70.3 Ų | 70.3 | 37% | 0.367 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 173.6 | -161.6 | -75.5 | 0 | 0 | 0 | 111.5 | A164 A165 Y166 K170 G171 F173 K178 L182 | A164-W168 VanDerWaalsContact O-CB 3.29Å; A164-W168 WeakPolarHBondContact O-CB 3.48Å; A164-W168 PolarHBondContact O-N 3.35Å; A165-W168 PolarHBondContact O-N 3.45Å; Y166-W168 VanDerWaalsContact C-N 3.28Å; Y166-W168 PolarHBondContact O-N 3.28Å; W168-K170 VanDerWaalsContact C-N 3.28Å; W168-K170 PolarHBondContact O-N 3.29Å; W168-G171 PolarHBondContact O-N 2.76Å; W168-F173 HydrophobicContact CB-CD2 4.27Å; W168-F173 HydrophobicContact CB-CE2 4.21Å; W168-F173 HydrophobicContact CD2-CD2 4.32Å; W168-F173 AromaticContact CE3-CD2 3.7Å; W168-F173 HydrophobicContact CE3-CD2 3.7Å; W168-F173 HydrophobicContact CE3-CE2 4Å; W168-F173 HydrophobicContact CZ3-CD2 4.46Å; W168-K178 HydrophobicContact CD2-CG 4.41Å; W168-K178 HydrophobicContact CE3-CB 4.44Å; W168-K178 HydrophobicContact CE3-CG 4.03Å; W168-K178 HydrophobicContact CH2-CB 3.44Å; W168-K178 VanDerWaalsContact CH2-CB 3.44Å; W168-K178 HydrophobicContact CH2-CD 3.8Å; W168-K178 HydrophobicContact CH2-CG 3.61Å; W168-K178 HydrophobicContact CZ2-CB 4.23Å; W168-K178 HydrophobicContact CZ2-CD 3.69Å; W168-K178 HydrophobicContact CZ2-CG 4Å; W168-K178 HydrophobicContact CZ3-CB 3.55Å; W168-K178 HydrophobicContact CZ3-CD 4.26Å; W168-K178 HydrophobicContact CZ3-CG 3.62Å; W168-L182 HydrophobicContact CH2-CD1 3.69Å; W168-L182 HydrophobicContact CH2-CD2 4.29Å; W168-L182 HydrophobicContact CH2-CG 3.86Å; W168-L182 HydrophobicContact CZ3-CD1 4.18Å; W168-L182 HydrophobicContact CZ3-CD2 4.2Å; W168-L182 HydrophobicContact CZ3-CG 3.82Å |
| 169 | K | 95.8 | Very high | 95.2 | Very high | 189 Ų | 189 | 68 Ų | 68 | 82% | 0.822 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.5 | -35.7 | 176.7 | -175.2 | 176.8 | -179.9 | 176.8 | 0 | 112 | A165 Y166 G171 | A165-K169 PolarHBondContact O-N 3.33Å; Y166-K169 PolarHBondContact O-N 2.89Å; K169-G171 VanDerWaalsContact C-N 3.31Å; K169-G171 PolarHBondContact O-N 3.32Å |
| 170 | K | 93.7 | Very high | 95.1 | Very high | 104 Ų | 104 | 71.3 Ų | 71.3 | 45% | 0.452 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.2 | 178.3 | -73.3 | -67.5 | -172.4 | 179.5 | 0 | 114.7 | Y166 F167 W168 Y172 | Y166-K170 HydrophobicContact CD1-CG 4.42Å; Y166-K170 HydrophobicContact CD2-CG 4.39Å; Y166-K170 HydrophobicContact CE1-CG 3.94Å; Y166-K170 HydrophobicContact CE2-CG 3.95Å; Y166-K170 WeakPolarHBondContact O-CB 3.2Å; Y166-K170 WeakPolarHBondContact O-CG 3.3Å; Y166-K170 PolarHBondContact O-N 3.32Å; F167-K170 PolarHBondContact O-N 3.22Å; W168-K170 VanDerWaalsContact C-N 3.28Å; W168-K170 PolarHBondContact O-N 3.29Å; K170-Y172 HydrophobicContact CB-CD1 3.68Å; K170-Y172 HydrophobicContact CB-CE1 3.6Å; K170-Y172 HydrophobicContact CB-CG 4.29Å; K170-Y172 HydrophobicContact CG-CE1 4.43Å; K170-Y172 WeakPolarHBondContact O-CD1 3.33Å |
| 171 | G | 92.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 71.5 Ų | 71.5 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A56 F167 W168 K169 F173 | A56-G171 VanDerWaalsContact O-O 3.1Å; F167-G171 PolarHBondContact O-N 2.92Å; F167-G171 VanDerWaalsContact O-N 3.1Å; W168-G171 PolarHBondContact O-N 2.76Å; K169-G171 VanDerWaalsContact C-N 3.31Å; K169-G171 PolarHBondContact O-N 3.32Å; G171-F173 PolarHBondContact O-N 3.25Å; G171-F173 VanDerWaalsContact O-N 3.14Å |
| 172 | Y | 93.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 72.4 Ų | 72.4 | 17% | 0.169 | 36% | 0.362 | C | S | . | . | trans | -71.5 | -10.5 | -174 | -72.6 | 11.6 | 0 | 0 | 0 | 113.7 | A56 T62 F167 K170 | A56-Y172 HydrophobicContact CB-CD1 4.32Å; A56-Y172 HydrophobicContact CB-CE1 4.08Å; T62-Y172 HydrophobicContact CG2-CD1 4.1Å; T62-Y172 HydrophobicContact CG2-CD2 4.47Å; T62-Y172 HydrophobicContact CG2-CE1 4.17Å; T62-Y172 HydrophobicContact CG2-CG 4.26Å; F167-Y172 HydrophobicContact CB-CD2 4.41Å; F167-Y172 AromaticContact CD1-CD2 3.37Å; F167-Y172 HydrophobicContact CD1-CD2 3.37Å; F167-Y172 AromaticContact CD1-CE2 3.81Å; F167-Y172 HydrophobicContact CD1-CE2 3.81Å; F167-Y172 HydrophobicContact CD1-CG 4.24Å; F167-Y172 AromaticContact CE1-CD2 3.92Å; F167-Y172 HydrophobicContact CE1-CD2 3.92Å; F167-Y172 HydrophobicContact CE1-CE2 4.03Å; F167-Y172 HydrophobicContact CG-CD2 4.07Å; F167-Y172 PolarHBondContact O-N 3.37Å; K170-Y172 HydrophobicContact CB-CD1 3.68Å; K170-Y172 HydrophobicContact CB-CE1 3.6Å; K170-Y172 HydrophobicContact CB-CG 4.29Å; K170-Y172 HydrophobicContact CG-CE1 4.43Å; K170-Y172 WeakPolarHBondContact O-CD1 3.33Å | ||
| 173 | F | 93.7 | Very high | 95 | Very high | 10 Ų | 10 | 69.1 Ų | 69.1 | 4% | 0.044 | 36% | 0.355 | C | S | . | . | trans | -101.7 | 129.6 | -176 | -59.1 | -37.3 | 0 | 0 | 0 | 112.8 | V66 W69 F167 W168 G171 M177 K178 V181 | V66-F173 HydrophobicContact CG1-CD1 4.5Å; V66-F173 HydrophobicContact CG1-CE1 3.92Å; V66-F173 HydrophobicContact CG2-CD1 4.35Å; V66-F173 HydrophobicContact CG2-CE1 3.93Å; W69-F173 HydrophobicContact CH2-CZ 4.43Å; W69-F173 HydrophobicContact CZ3-CE1 4.21Å; W69-F173 HydrophobicContact CZ3-CZ 4.02Å; F167-F173 HydrophobicContact CB-CD1 4.48Å; F167-F173 HydrophobicContact CB-CD2 4.47Å; F167-F173 HydrophobicContact CB-CE1 3.74Å; F167-F173 HydrophobicContact CB-CE2 3.73Å; F167-F173 HydrophobicContact CB-CZ 3.31Å; F167-F173 HydrophobicContact CD2-CE1 4.15Å; F167-F173 AromaticContact CD2-CZ 3.95Å; F167-F173 HydrophobicContact CD2-CZ 3.95Å; F167-F173 HydrophobicContact CG-CE1 4.35Å; F167-F173 HydrophobicContact CG-CZ 4.12Å; W168-F173 HydrophobicContact CB-CD2 4.27Å; W168-F173 HydrophobicContact CB-CE2 4.21Å; W168-F173 HydrophobicContact CD2-CD2 4.32Å; W168-F173 AromaticContact CE3-CD2 3.7Å; W168-F173 HydrophobicContact CE3-CD2 3.7Å; W168-F173 HydrophobicContact CE3-CE2 4Å; W168-F173 HydrophobicContact CZ3-CD2 4.46Å; G171-F173 PolarHBondContact O-N 3.25Å; G171-F173 VanDerWaalsContact O-N 3.14Å; F173-M177 HydrophobicContact CB-CB 4.11Å; F173-M177 HydrophobicContact CB-CG 4.2Å; F173-M177 HydrophobicContact CD1-CB 4.36Å; F173-M177 HydrophobicContact CD1-CG 3.54Å; F173-M177 HydrophobicContact CE1-CG 4.19Å; F173-M177 HydrophobicContact CG-CG 4.09Å; F173-K178 HydrophobicContact CB-CG 3.62Å; F173-K178 HydrophobicContact CD2-CG 4.4Å; F173-K178 HydrophobicContact CG-CG 4.47Å; F173-V181 HydrophobicContact CD1-CG2 4.43Å; F173-V181 HydrophobicContact CE1-CG2 3.94Å; F173-V181 HydrophobicContact CE2-CB 4.39Å; F173-V181 HydrophobicContact CE2-CG1 4.03Å; F173-V181 HydrophobicContact CE2-CG2 4.25Å; F173-V181 HydrophobicContact CZ-CB 4.38Å; F173-V181 HydrophobicContact CZ-CG1 4.05Å; F173-V181 HydrophobicContact CZ-CG2 3.83Å | ||
| 174 | T | 91.3 | Very high | 95.1 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | trans | -65.5 | 162.5 | 161.2 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | P58 S176 M177 K178 | P58-T174 HydrophobicContact CB-CG2 3.82Å; P58-T174 HydrophobicContact CG-CG2 3.9Å; T174-S176 PolarHBondContact O-N 3.13Å; T174-M177 PolarHBondContact O-N 3.47Å; T174-M177 WeakPolarHBondContact OG1-CB 3.19Å; T174-M177 PolarHBondContact OG1-N 3.2Å; T174-K178 PolarHBondContact O-N 2.77Å | ||
| 175 | R | 90.5 | Very high | 95.1 | Very high | 237 Ų | 237 | 69 Ų | 69 | 89% | 0.894 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.7 | -38.8 | 178.4 | -168.1 | 174.3 | -176.5 | 173.3 | 0.9 | 112.8 | ||
| 176 | S | 91.8 | Very high | 95 | Very high | 74 Ų | 74 | 68 Ų | 68 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | T174 K178 G179 K180 | T174-S176 PolarHBondContact O-N 3.13Å; S176-K178 VanDerWaalsContact C-N 3.34Å; S176-K178 PolarHBondContact O-N 3.16Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-K180 PolarHBondContact O-N 3.26Å |
| 177 | M | 94.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 179.1 | -172.4 | 57.6 | 66.2 | 0 | 0 | 112.2 | F173 T174 G179 K180 V181 T237 L241 | F173-M177 HydrophobicContact CB-CB 4.11Å; F173-M177 HydrophobicContact CB-CG 4.2Å; F173-M177 HydrophobicContact CD1-CB 4.36Å; F173-M177 HydrophobicContact CD1-CG 3.54Å; F173-M177 HydrophobicContact CE1-CG 4.19Å; F173-M177 HydrophobicContact CG-CG 4.09Å; T174-M177 PolarHBondContact O-N 3.47Å; T174-M177 WeakPolarHBondContact OG1-CB 3.19Å; T174-M177 PolarHBondContact OG1-N 3.2Å; M177-G179 VanDerWaalsContact C-N 3.33Å; M177-G179 PolarHBondContact O-N 3.5Å; M177-K180 PolarHBondContact O-N 3.46Å; M177-K180 HydrophobicContact SD-CB 4.32Å; M177-K180 HydrophobicContact SD-CD 4.41Å; M177-V181 HydrophobicContact CG-CG2 4.06Å; M177-V181 WeakPolarHBondContact O-CG2 3.35Å; M177-V181 PolarHBondContact O-N 3.45Å; M177-V181 HydrophobicContact SD-CG2 4.01Å; M177-T237 HydrophobicContact CE-CG2 3.83Å; M177-T237 HydrophobicContact SD-CG2 3.99Å; M177-L241 HydrophobicContact CE-CD1 3.77Å; M177-L241 HydrophobicContact CE-CD2 3.88Å; M177-L241 HydrophobicContact CE-CG 4.14Å |
| 178 | K | 95.1 | Very high | 95 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.6 | -48.7 | 174.6 | -75.9 | -174.8 | 177.7 | -174.2 | 0 | 112 | W168 F173 T174 S176 V181 L182 | W168-K178 HydrophobicContact CD2-CG 4.41Å; W168-K178 HydrophobicContact CE3-CB 4.44Å; W168-K178 HydrophobicContact CE3-CG 4.03Å; W168-K178 HydrophobicContact CH2-CB 3.44Å; W168-K178 VanDerWaalsContact CH2-CB 3.44Å; W168-K178 HydrophobicContact CH2-CD 3.8Å; W168-K178 HydrophobicContact CH2-CG 3.61Å; W168-K178 HydrophobicContact CZ2-CB 4.23Å; W168-K178 HydrophobicContact CZ2-CD 3.69Å; W168-K178 HydrophobicContact CZ2-CG 4Å; W168-K178 HydrophobicContact CZ3-CB 3.55Å; W168-K178 HydrophobicContact CZ3-CD 4.26Å; W168-K178 HydrophobicContact CZ3-CG 3.62Å; F173-K178 HydrophobicContact CB-CG 3.62Å; F173-K178 HydrophobicContact CD2-CG 4.4Å; F173-K178 HydrophobicContact CG-CG 4.47Å; T174-K178 PolarHBondContact O-N 2.77Å; S176-K178 VanDerWaalsContact C-N 3.34Å; S176-K178 PolarHBondContact O-N 3.16Å; K178-V181 PolarHBondContact O-N 2.87Å; K178-L182 WeakPolarHBondContact O-CB 3.3Å; K178-L182 WeakPolarHBondContact O-CG 3.46Å; K178-L182 PolarHBondContact O-N 2.9Å |
| 179 | G | 95.8 | Very high | 94.9 | Very high | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S176 M177 L182 G183 | S176-G179 PolarHBondContact O-N 3.35Å; M177-G179 VanDerWaalsContact C-N 3.33Å; M177-G179 PolarHBondContact O-N 3.5Å; G179-L182 PolarHBondContact O-N 3.21Å; G179-G183 PolarHBondContact O-N 3Å |
| 180 | K | 95.8 | Very high | 94.9 | Very high | 92 Ų | 92 | 63.4 Ų | 63.4 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 176.6 | -67.6 | 178.8 | -177.2 | 178.8 | 0 | 111.9 | S176 M177 G183 L184 T237 | S176-K180 PolarHBondContact O-N 3.26Å; M177-K180 PolarHBondContact O-N 3.46Å; M177-K180 HydrophobicContact SD-CB 4.32Å; M177-K180 HydrophobicContact SD-CD 4.41Å; K180-G183 PolarHBondContact O-N 3.33Å; K180-L184 WeakPolarHBondContact O-CG 3.45Å; K180-L184 PolarHBondContact O-N 3.17Å; K180-T237 HydrophobicContact CD-CG2 4.5Å |
| 181 | V | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | -179.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | W69 A164 F173 M177 K178 G183 L184 C185 | W69-V181 HydrophobicContact CH2-CG1 4.04Å; W69-V181 HydrophobicContact CH2-CG2 4.36Å; W69-V181 HydrophobicContact CZ3-CG2 4.21Å; A164-V181 HydrophobicContact CB-CG1 3.66Å; F173-V181 HydrophobicContact CD1-CG2 4.43Å; F173-V181 HydrophobicContact CE1-CG2 3.94Å; F173-V181 HydrophobicContact CE2-CB 4.39Å; F173-V181 HydrophobicContact CE2-CG1 4.03Å; F173-V181 HydrophobicContact CE2-CG2 4.25Å; F173-V181 HydrophobicContact CZ-CB 4.38Å; F173-V181 HydrophobicContact CZ-CG1 4.05Å; F173-V181 HydrophobicContact CZ-CG2 3.83Å; M177-V181 HydrophobicContact CG-CG2 4.06Å; M177-V181 WeakPolarHBondContact O-CG2 3.35Å; M177-V181 PolarHBondContact O-N 3.45Å; M177-V181 HydrophobicContact SD-CG2 4.01Å; K178-V181 PolarHBondContact O-N 2.87Å; V181-G183 VanDerWaalsContact C-N 3.33Å; V181-G183 PolarHBondContact O-N 3.41Å; V181-L184 PolarHBondContact O-N 2.87Å; V181-C185 PolarHBondContact O-N 2.82Å; V181-C185 PolarHBondContact O-SG 3.49Å; V181-C185 VanDerWaalsContact O-SG 3.39Å |
| 182 | L | 97 | Very high | 94.9 | Very high | 107 Ų | 107 | 60.8 Ų | 60.8 | 56% | 0.56 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 172.5 | -75.7 | 175.6 | 0 | 0 | 0 | 111.7 | W168 K178 G179 L184 C185 G186 | W168-L182 HydrophobicContact CH2-CD1 3.69Å; W168-L182 HydrophobicContact CH2-CD2 4.29Å; W168-L182 HydrophobicContact CH2-CG 3.86Å; W168-L182 HydrophobicContact CZ3-CD1 4.18Å; W168-L182 HydrophobicContact CZ3-CD2 4.2Å; W168-L182 HydrophobicContact CZ3-CG 3.82Å; K178-L182 WeakPolarHBondContact O-CB 3.3Å; K178-L182 WeakPolarHBondContact O-CG 3.46Å; K178-L182 PolarHBondContact O-N 2.9Å; G179-L182 PolarHBondContact O-N 3.21Å; L182-L184 PolarHBondContact O-N 3.08Å; L182-C185 PolarHBondContact O-N 3.22Å; L182-G186 PolarHBondContact O-N 3.48Å |
| 183 | G | 97.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 62.6 Ų | 62.6 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G179 K180 V181 G186 F187 | G179-G183 PolarHBondContact O-N 3Å; K180-G183 PolarHBondContact O-N 3.33Å; V181-G183 VanDerWaalsContact C-N 3.33Å; V181-G183 PolarHBondContact O-N 3.41Å; G183-G186 PolarHBondContact O-N 2.99Å; G183-F187 WeakPolarHBondContact O-CB 3.21Å; G183-F187 PolarHBondContact O-N 2.8Å |
| 184 | L | 97.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 177.5 | -66.1 | 174.2 | 0 | 0 | 0 | 111.9 | L70 Y160 K180 V181 L182 G186 F187 V188 L230 A233 S234 | L70-L184 HydrophobicContact CD2-CD1 3.84Å; Y160-L184 HydrophobicContact CD1-CB 4.29Å; Y160-L184 HydrophobicContact CE1-CB 4.11Å; K180-L184 WeakPolarHBondContact O-CG 3.45Å; K180-L184 PolarHBondContact O-N 3.17Å; V181-L184 PolarHBondContact O-N 2.87Å; L182-L184 PolarHBondContact O-N 3.08Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-G186 PolarHBondContact O-N 3.31Å; L184-F187 WeakPolarHBondContact O-CB 3.5Å; L184-F187 PolarHBondContact O-N 3.42Å; L184-V188 WeakPolarHBondContact O-CG2 3.37Å; L184-V188 PolarHBondContact O-N 3.44Å; L184-L230 HydrophobicContact CB-CD1 4.36Å; L184-L230 HydrophobicContact CD2-CD1 3.82Å; L184-A233 HydrophobicContact CD2-CB 3.72Å; L184-S234 WeakPolarHBondContact CD2-OG 3.07Å |
| 185 | C | 97.5 | Very high | 94.6 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 17% | 0.169 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.7 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | V181 L182 F187 V188 F189 | V181-C185 PolarHBondContact O-N 2.82Å; V181-C185 PolarHBondContact O-SG 3.49Å; V181-C185 VanDerWaalsContact O-SG 3.39Å; L182-C185 PolarHBondContact O-N 3.22Å; C185-F187 VanDerWaalsContact C-N 3.33Å; C185-F187 PolarHBondContact O-N 3.18Å; C185-V188 PolarHBondContact O-N 3.04Å; C185-F189 PolarHBondContact O-N 2.8Å; C185-F189 VanDerWaalsContact O-N 3.11Å |
| 186 | G | 96.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L182 G183 L184 V188 F189 F190 | L182-G186 PolarHBondContact O-N 3.48Å; G183-G186 PolarHBondContact O-N 2.99Å; L184-G186 VanDerWaalsContact C-N 3.33Å; L184-G186 PolarHBondContact O-N 3.31Å; G186-V188 VanDerWaalsContact C-N 3.34Å; G186-V188 PolarHBondContact O-N 2.89Å; G186-F189 PolarHBondContact O-N 3.32Å; G186-F190 WeakPolarHBondContact O-CB 3.25Å; G186-F190 PolarHBondContact O-N 3.32Å |
| 187 | F | 95 | Very high | 94.1 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 175.7 | -124.2 | -99 | 0 | 0 | 0 | 112.7 | G183 L184 C185 F190 Q191 S226 V229 L230 | G183-F187 WeakPolarHBondContact O-CB 3.21Å; G183-F187 PolarHBondContact O-N 2.8Å; L184-F187 WeakPolarHBondContact O-CB 3.5Å; L184-F187 PolarHBondContact O-N 3.42Å; C185-F187 VanDerWaalsContact C-N 3.33Å; C185-F187 PolarHBondContact O-N 3.18Å; F187-F190 CarbonylContact O-C 3.59Å; F187-F190 WeakPolarHBondContact O-CB 3.25Å; F187-F190 PolarHBondContact O-N 3.27Å; F187-Q191 WeakPolarHBondContact O-CG 3.31Å; F187-Q191 PolarHBondContact O-N 2.85Å; F187-S226 WeakPolarHBondContact CE1-O 3.26Å; F187-V229 HydrophobicContact CE1-CB 4.19Å; F187-V229 HydrophobicContact CE1-CG1 4.03Å; F187-V229 HydrophobicContact CZ-CB 4.49Å; F187-V229 HydrophobicContact CZ-CG1 3.98Å; F187-L230 HydrophobicContact CB-CD1 4.18Å; F187-L230 HydrophobicContact CD1-CB 4.02Å |
| 188 | V | 96.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | V156 Y160 L184 C185 G186 Q191 G192 L230 | V156-V188 HydrophobicContact CG1-CG1 4.5Å; Y160-V188 HydrophobicContact CD1-CG2 4.02Å; Y160-V188 HydrophobicContact CD2-CG2 3.68Å; Y160-V188 HydrophobicContact CE1-CG2 4.33Å; Y160-V188 HydrophobicContact CE2-CG2 4Å; Y160-V188 HydrophobicContact CG-CG2 3.67Å; L184-V188 WeakPolarHBondContact O-CG2 3.37Å; L184-V188 PolarHBondContact O-N 3.44Å; C185-V188 PolarHBondContact O-N 3.04Å; G186-V188 VanDerWaalsContact C-N 3.34Å; G186-V188 PolarHBondContact O-N 2.89Å; V188-Q191 WeakPolarHBondContact O-CB 3.37Å; V188-Q191 PolarHBondContact O-N 2.61Å; V188-G192 PolarHBondContact O-N 3.41Å; V188-L230 HydrophobicContact CG2-CD1 4.11Å; V188-L230 HydrophobicContact CG2-CD2 3.62Å |
| 189 | F | 94.5 | Very high | 92.7 | Very high | 143 Ų | 143 | 54.1 Ų | 54.1 | 63% | 0.627 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 172.9 | -179.3 | -104.1 | 0 | 0 | 0 | 111.5 | C185 G186 Q191 G192 L193 | C185-F189 PolarHBondContact O-N 2.8Å; C185-F189 VanDerWaalsContact O-N 3.11Å; G186-F189 PolarHBondContact O-N 3.32Å; F189-Q191 VanDerWaalsContact C-N 3.29Å; F189-Q191 PolarHBondContact O-N 3.34Å; F189-G192 PolarHBondContact O-N 2.83Å; F189-G192 VanDerWaalsContact O-N 3.1Å; F189-L193 HydrophobicContact CD1-CD1 3.92Å; F189-L193 HydrophobicContact CD1-CG 4.32Å; F189-L193 HydrophobicContact CE1-CD1 3.46Å; F189-L193 VanDerWaalsContact CE1-CD1 3.46Å; F189-L193 HydrophobicContact CE1-CD2 4.38Å; F189-L193 HydrophobicContact CE1-CG 3.95Å; F189-L193 HydrophobicContact CZ-CD1 4.1Å; F189-L193 HydrophobicContact CZ-CD2 4.2Å; F189-L193 HydrophobicContact CZ-CG 4.19Å; F189-L193 PolarHBondContact O-N 3.41Å; F189-L193 VanDerWaalsContact O-N 3.07Å |
| 190 | F | 95 | Very high | 91.8 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.1 | -37.3 | 174.2 | 177.3 | -106.8 | 0 | 0 | 0 | 112.7 | G186 F187 G192 L193 L194 | G186-F190 WeakPolarHBondContact O-CB 3.25Å; G186-F190 PolarHBondContact O-N 3.32Å; F187-F190 CarbonylContact O-C 3.59Å; F187-F190 WeakPolarHBondContact O-CB 3.25Å; F187-F190 PolarHBondContact O-N 3.27Å; F190-G192 VanDerWaalsContact C-N 3.35Å; F190-G192 PolarHBondContact O-N 3.3Å; F190-L193 PolarHBondContact O-N 3.05Å; F190-L194 HydrophobicContact CE1-CD1 3.69Å; F190-L194 HydrophobicContact CE2-CD1 4.45Å; F190-L194 HydrophobicContact CZ-CD1 3.6Å; F190-L194 WeakPolarHBondContact O-CB 3.37Å; F190-L194 PolarHBondContact O-N 2.77Å |
| 191 | Q | 95.7 | Very high | 90.5 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 172.5 | -75 | -52.4 | -67.4 | 0 | 0 | 111.9 | F187 V188 F189 L193 L194 G195 H223 S226 L230 | F187-Q191 WeakPolarHBondContact O-CG 3.31Å; F187-Q191 PolarHBondContact O-N 2.85Å; V188-Q191 WeakPolarHBondContact O-CB 3.37Å; V188-Q191 PolarHBondContact O-N 2.61Å; F189-Q191 VanDerWaalsContact C-N 3.29Å; F189-Q191 PolarHBondContact O-N 3.34Å; Q191-L193 PolarHBondContact O-N 2.86Å; Q191-L194 PolarHBondContact O-N 2.97Å; Q191-G195 PolarHBondContact O-N 2.89Å; Q191-H223 PolarHBondContact O-CE1 2.9Å; Q191-H223 VanDerWaalsContact O-CE1 3.31Å; Q191-H223 PolarHBondContact OE1-CE1 3.34Å; Q191-H223 PolarHBondContact OE1-O 3.49Å; Q191-S226 VanDerWaalsContact NE2-C 3.34Å; Q191-S226 PolarHBondContact NE2-OG 2.74Å; Q191-L230 HydrophobicContact CG-CD2 4.12Å |
| 192 | G | 91.9 | Very high | 88.9 | Confident | 42 Ų | 42 | 53 Ų | 53 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V188 F189 F190 W196 | V188-G192 PolarHBondContact O-N 3.41Å; F189-G192 PolarHBondContact O-N 2.83Å; F189-G192 VanDerWaalsContact O-N 3.1Å; F190-G192 VanDerWaalsContact C-N 3.35Å; F190-G192 PolarHBondContact O-N 3.3Å; G192-W196 PolarHBondContact O-N 3.29Å |
| 193 | L | 91.4 | Very high | 87.4 | Confident | 82 Ų | 82 | 49.2 Ų | 49.2 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.1 | -69.4 | -179.9 | 0 | 0 | 0 | 112.5 | F189 F190 Q191 W196 Y197 | F189-L193 HydrophobicContact CD1-CD1 3.92Å; F189-L193 HydrophobicContact CD1-CG 4.32Å; F189-L193 HydrophobicContact CE1-CD1 3.46Å; F189-L193 VanDerWaalsContact CE1-CD1 3.46Å; F189-L193 HydrophobicContact CE1-CD2 4.38Å; F189-L193 HydrophobicContact CE1-CG 3.95Å; F189-L193 HydrophobicContact CZ-CD1 4.1Å; F189-L193 HydrophobicContact CZ-CD2 4.2Å; F189-L193 HydrophobicContact CZ-CG 4.19Å; F189-L193 PolarHBondContact O-N 3.41Å; F189-L193 VanDerWaalsContact O-N 3.07Å; F190-L193 PolarHBondContact O-N 3.05Å; Q191-L193 PolarHBondContact O-N 2.86Å; L193-W196 PolarHBondContact O-N 3.26Å; L193-Y197 WeakPolarHBondContact O-CB 3.44Å; L193-Y197 PolarHBondContact O-N 2.8Å |
| 194 | L | 90.8 | Very high | 86 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | -178.9 | -159.1 | 160.8 | 0 | 0 | 0 | 110.9 | F190 Q191 Y197 M198 A222 H223 | F190-L194 HydrophobicContact CE1-CD1 3.69Å; F190-L194 HydrophobicContact CE2-CD1 4.45Å; F190-L194 HydrophobicContact CZ-CD1 3.6Å; F190-L194 WeakPolarHBondContact O-CB 3.37Å; F190-L194 PolarHBondContact O-N 2.77Å; Q191-L194 PolarHBondContact O-N 2.97Å; L194-Y197 PolarHBondContact O-N 3.14Å; L194-M198 VanDerWaalsContact O-CB 3.28Å; L194-M198 WeakPolarHBondContact O-CB 3.5Å; L194-M198 PolarHBondContact O-N 3.25Å; L194-A222 HydrophobicContact CD1-CB 4.2Å; L194-A222 HydrophobicContact CD2-CB 4.36Å; L194-H223 VanDerWaalsContact CD2-CA 3.4Å; L194-H223 HydrophobicContact CD2-CB 3.37Å |
| 195 | G | 88.5 | Confident | 84.2 | Confident | 15 Ų | 15 | 58 Ų | 58 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q191 M198 V199 | Q191-G195 PolarHBondContact O-N 2.89Å; G195-M198 WeakPolarHBondContact O-CB 3.5Å; G195-M198 PolarHBondContact O-N 3.29Å; G195-V199 PolarHBondContact O-N 2.99Å; G195-V199 VanDerWaalsContact O-N 3.12Å |
| 196 | W | 87.2 | Confident | 82.2 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 38% | 0.375 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 172.2 | 166.7 | 78.4 | 0 | 0 | 0 | 112.1 | W99 G192 L193 M198 V199 K200 | W99-W196 AromaticContact CD1-CD1 3.87Å; W99-W196 AromaticContact CD2-CD1 3.66Å; W99-W196 HydrophobicContact CD2-CG 4.41Å; W99-W196 AromaticContact CE2-CD1 4Å; W99-W196 AromaticContact CG-CD1 3.6Å; G192-W196 PolarHBondContact O-N 3.29Å; L193-W196 PolarHBondContact O-N 3.26Å; W196-M198 VanDerWaalsContact C-N 3.27Å; W196-M198 PolarHBondContact O-N 3.14Å; W196-V199 PolarHBondContact O-N 3.28Å; W196-K200 HydrophobicContact CH2-CD 3.99Å; W196-K200 HydrophobicContact CZ2-CD 3.6Å; W196-K200 WeakPolarHBondContact O-CB 3.41Å; W196-K200 PolarHBondContact O-N 3.38Å |
| 197 | Y | 84.3 | Confident | 80 | Confident | 118 Ų | 118 | 65.8 Ų | 65.8 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 177.4 | 173.5 | -113.2 | 0 | 0 | 0 | 111.9 | L193 L194 S201 R219 | L193-Y197 WeakPolarHBondContact O-CB 3.44Å; L193-Y197 PolarHBondContact O-N 2.8Å; L194-Y197 PolarHBondContact O-N 3.14Å; Y197-S201 WeakPolarHBondContact O-CB 3.35Å; Y197-S201 PolarHBondContact O-N 2.97Å; Y197-S201 PolarHBondContact O-OG 3.31Å; Y197-R219 HydrophobicContact CD1-CG 4.29Å; Y197-R219 HydrophobicContact CE1-CG 3.78Å; Y197-R219 VanDerWaalsContact CE1-NE 3.26Å; Y197-R219 PolarHBondContact OH-NE 2.86Å; Y197-R219 VanDerWaalsContact OH-NE 3.17Å; Y197-R219 PolarHBondContact OH-NH2 2.82Å |
| 198 | M | 83.8 | Confident | 77.7 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 177.1 | -173.5 | 179.7 | 77 | 0 | 0 | 111.7 | L194 G195 W196 S201 V215 R219 L220 H223 | L194-M198 VanDerWaalsContact O-CB 3.28Å; L194-M198 WeakPolarHBondContact O-CB 3.5Å; L194-M198 PolarHBondContact O-N 3.25Å; G195-M198 WeakPolarHBondContact O-CB 3.5Å; G195-M198 PolarHBondContact O-N 3.29Å; W196-M198 VanDerWaalsContact C-N 3.27Å; W196-M198 PolarHBondContact O-N 3.14Å; M198-S201 PolarHBondContact O-OG 3.09Å; M198-V215 HydrophobicContact CB-CG1 4.47Å; M198-V215 HydrophobicContact CG-CB 4.32Å; M198-V215 HydrophobicContact CG-CG1 3.12Å; M198-V215 HydrophobicContact CG-CG2 4.25Å; M198-V215 HydrophobicContact SD-CG1 3.82Å; M198-R219 HydrophobicContact CB-CB 4.37Å; M198-R219 HydrophobicContact CG-CB 4.06Å; M198-L220 HydrophobicContact SD-CD1 4.36Å; M198-H223 HydrophobicContact SD-CB 3.81Å |
| 199 | V | 77.6 | Confident | 75.4 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.3 | -50 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | L94 G195 W196 S201 G202 L203 | L94-V199 HydrophobicContact CD2-CG1 4.28Å; G195-V199 PolarHBondContact O-N 2.99Å; G195-V199 VanDerWaalsContact O-N 3.12Å; W196-V199 PolarHBondContact O-N 3.28Å; V199-S201 PolarHBondContact O-N 3.16Å; V199-G202 PolarHBondContact O-N 2.89Å; V199-L203 HydrophobicContact CG1-CD1 4.29Å; V199-L203 PolarHBondContact O-N 3.18Å |
| 200 | K | 77.4 | Confident | 73.3 | Confident | 95 Ų | 95 | 75.3 Ų | 75.3 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -49.7 | -42.8 | -179.3 | 178.8 | -178.6 | 176.2 | -169.4 | 0 | 111 | W196 G202 L203 E204 | W196-K200 HydrophobicContact CH2-CD 3.99Å; W196-K200 HydrophobicContact CZ2-CD 3.6Å; W196-K200 WeakPolarHBondContact O-CB 3.41Å; W196-K200 PolarHBondContact O-N 3.38Å; K200-G202 VanDerWaalsContact C-N 3.29Å; K200-G202 PolarHBondContact O-N 3.2Å; K200-L203 WeakPolarHBondContact O-CB 3.44Å; K200-L203 PolarHBondContact O-N 3.06Å; K200-L203 VanDerWaalsContact O-N 3.15Å; K200-E204 WeakPolarHBondContact CE-OE1 3.27Å |
| 201 | S | 68.4 | Low | 71.4 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 11% | 0.112 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.8 | -14.5 | -175.5 | 78.5 | 0 | 0 | 0 | 0 | 115.9 | Y197 M198 V199 R219 | Y197-S201 WeakPolarHBondContact O-CB 3.35Å; Y197-S201 PolarHBondContact O-N 2.97Å; Y197-S201 PolarHBondContact O-OG 3.31Å; M198-S201 PolarHBondContact O-OG 3.09Å; V199-S201 PolarHBondContact O-N 3.16Å; S201-R219 WeakPolarHBondContact OG-CD 3.33Å; S201-R219 PolarHBondContact OG-NE 2.84Å; S201-R219 PolarHBondContact OG-NH1 3.04Å |
| 202 | G | 62.6 | Low | 69.7 | Low | 7 Ų | 7 | 78.6 Ų | 78.6 | 7% | 0.072 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -87.8 | -12.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V199 K200 | V199-G202 PolarHBondContact O-N 2.89Å; K200-G202 VanDerWaalsContact C-N 3.29Å; K200-G202 PolarHBondContact O-N 3.2Å |
| 203 | L | 65.4 | Low | 68.1 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -90.3 | -14.4 | 177.6 | -60.9 | 173.9 | 0 | 0 | 0 | 112.9 | L94 F124 V199 K200 | L94-L203 HydrophobicContact CB-CD2 4.19Å; L94-L203 HydrophobicContact CD2-CD2 4.34Å; L94-L203 HydrophobicContact CD2-CG 4.49Å; F124-L203 HydrophobicContact CD1-CB 4.11Å; F124-L203 HydrophobicContact CD1-CD2 3.74Å; F124-L203 HydrophobicContact CD1-CG 4.48Å; F124-L203 HydrophobicContact CE1-CB 4.02Å; F124-L203 HydrophobicContact CE1-CD2 4.07Å; F124-L203 HydrophobicContact CE1-CG 4.46Å; F124-L203 HydrophobicContact CG-CD2 4.31Å; V199-L203 HydrophobicContact CG1-CD1 4.29Å; V199-L203 PolarHBondContact O-N 3.18Å; K200-L203 WeakPolarHBondContact O-CB 3.44Å; K200-L203 PolarHBondContact O-N 3.06Å; K200-L203 VanDerWaalsContact O-N 3.15Å |
| 204 | E | 67.1 | Low | 67 | Low | 111 Ų | 111 | 77.8 Ų | 77.8 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -79 | 125 | -179.8 | -71.1 | 172.1 | -178.7 | 0 | 0 | 110.3 | K200 N206 | K200-E204 WeakPolarHBondContact CE-OE1 3.27Å; E204-N206 PolarHBondContact O-N 2.96Å |
| 205 | E | 59.8 | Low | 65.8 | Low | 128 Ų | 128 | 78 Ų | 78 | 60% | 0.598 | 39% | 0.391 | S | S | * | . | trans | -66.6 | 121.5 | 168.1 | -79.7 | 179.3 | -174 | 0 | 0 | 108.4 | P125 K128 P207 | P125-E205 HydrophobicContact CG-CG 3.33Å; K128-E205 IonicContact NZ-OE1 3.93Å; K128-E205 PolarHBondContact NZ-OE1 3.01Å; E205-P207 WeakPolarHBondContact O-CD 3.38Å | ||
| 206 | N | 57.2 | Low | 65.6 | Low | 104 Ų | 104 | 78.7 Ų | 78.7 | 56% | 0.556 | 39% | 0.393 | S | S | * | . | trans | -109 | 100.2 | 175 | -163.8 | 1.6 | 0 | 0 | 0 | 109 | E204 E208 S209 | E204-N206 PolarHBondContact O-N 2.96Å; N206-E208 PolarHBondContact O-N 2.89Å; N206-E208 VanDerWaalsContact O-N 3.1Å; N206-S209 WeakPolarHBondContact CB-OG 3.36Å; N206-S209 PolarHBondContact O-N 3.35Å; N206-S209 PolarHBondContact O-OG 3.44Å | ||
| 207 | P | 49.9 | Very low | 65.6 | Low | 127 Ų | 127 | 75.1 Ų | 75.1 | 83% | 0.825 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.5 | -172.4 | -21.3 | 32.6 | 0 | 0 | 0 | 114 | E205 | E205-P207 WeakPolarHBondContact O-CD 3.38Š|
| 208 | E | 46.3 | Very low | 65.8 | Low | 186 Ų | 186 | 73.8 Ų | 73.8 | 87% | 0.869 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6 | -177.5 | -61.2 | -153.5 | 164 | 0 | 0 | 114.3 | N206 | N206-E208 PolarHBondContact O-N 2.89Å; N206-E208 VanDerWaalsContact O-N 3.1Å |
| 209 | S | 49.4 | Very low | 66.2 | Low | 43 Ų | 43 | 75.6 Ų | 75.6 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | trans | -111.7 | 117.2 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | N206 D211 | N206-S209 WeakPolarHBondContact CB-OG 3.36Å; N206-S209 PolarHBondContact O-N 3.35Å; N206-S209 PolarHBondContact O-OG 3.44Å; S209-D211 PolarHBondContact O-N 3.3Å | ||
| 210 | H | 49 | Very low | 66.7 | Low | 201 Ų | 201 | 76 Ų | 76 | 93% | 0.931 | 38% | 0.382 | S | S | * | . | trans | -72.2 | 17.5 | 164.6 | -68.9 | -71.1 | 0 | 0 | 0 | 112.8 | ||||
| 211 | D | 55.9 | Low | 67.5 | Low | 116 Ų | 116 | 72.1 Ų | 72.1 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | trans | -76.8 | 143.4 | -177.2 | -73.4 | -34.3 | 0 | 0 | 0 | 110.8 | S209 | S209-D211 PolarHBondContact O-N 3.3Š| ||
| 212 | V | 59.5 | Low | 68.8 | Low | 67 Ų | 67 | 73.7 Ų | 73.7 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | trans | -52.9 | 128.9 | 172 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | L130 R214 | L130-V212 HydrophobicContact CD1-CG1 3.61Å; L130-V212 HydrophobicContact CD2-CG1 3.93Å; L130-V212 HydrophobicContact CG-CG1 4.19Å; V212-R214 WeakPolarHBondContact O-CG 3.33Å; V212-R214 PolarHBondContact O-N 2.94Å | ||
| 213 | P | 58.4 | Low | 70.3 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 12% | 0.123 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -58.8 | 103.4 | 178.1 | -22.1 | 31.3 | 0 | 0 | 0 | 110.7 | P125 I129 | P125-P213 HydrophobicContact CB-CB 3.91Å; P125-P213 HydrophobicContact CB-CG 3.59Å; I129-P213 HydrophobicContact CB-CG 4.4Å; I129-P213 HydrophobicContact CD1-CG 3.61Å |
| 214 | R | 67.8 | Low | 71.7 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | trans | -153.3 | 161.2 | 179.8 | 67.4 | -167.5 | 167.9 | 174.6 | -3.6 | 110.8 | V212 S216 D282 | V212-R214 WeakPolarHBondContact O-CG 3.33Å; V212-R214 PolarHBondContact O-N 2.94Å; R214-S216 PolarHBondContact O-N 2.92Å; R214-D282 IonicContact NH1-OD2 3.03Å; R214-D282 PolarHBondContact NH1-OD2 3.32Å | ||
| 215 | V | 66.8 | Low | 73.1 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | trans | -62.2 | 126.4 | 173 | 172.9 | 0 | 0 | 0 | 0 | 109.9 | L94 M198 Q217 R219 L220 | L94-V215 HydrophobicContact CD2-CG2 4.07Å; M198-V215 HydrophobicContact CB-CG1 4.47Å; M198-V215 HydrophobicContact CG-CB 4.32Å; M198-V215 HydrophobicContact CG-CG1 3.12Å; M198-V215 HydrophobicContact CG-CG2 4.25Å; M198-V215 HydrophobicContact SD-CG1 3.82Å; V215-Q217 PolarHBondContact O-N 3.44Å; V215-R219 HydrophobicContact CG1-CB 4.46Å; V215-L220 HydrophobicContact CG1-CB 4.35Å | ||
| 216 | S | 83.6 | Confident | 74.9 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | trans | -52.3 | 132.2 | 175 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | R214 Y218 R219 L220 | R214-S216 PolarHBondContact O-N 2.92Å; S216-Y218 PolarHBondContact O-N 3.4Å; S216-Y218 VanDerWaalsContact O-N 3.14Å; S216-Y218 PolarHBondContact OG-N 3.41Å; S216-R219 PolarHBondContact O-N 3.34Å; S216-L220 PolarHBondContact O-N 2.84Å | ||
| 217 | Q | 86.4 | Confident | 76.8 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.4 | -32.3 | 176 | 69.8 | -74.6 | 2.9 | 0 | 0 | 112.7 | V215 C221 F277 L281 | V215-Q217 PolarHBondContact O-N 3.44Å; Q217-C221 VanDerWaalsContact O-CB 3.25Å; Q217-C221 WeakPolarHBondContact O-CB 3.42Å; Q217-C221 PolarHBondContact O-N 3.39Å; Q217-F277 HydrophobicContact CB-CD1 4.24Å; Q217-F277 HydrophobicContact CG-CD1 3.88Å; Q217-F277 HydrophobicContact CG-CE1 4.33Å; Q217-L281 HydrophobicContact CB-CD2 4.42Å; Q217-L281 HydrophobicContact CB-CG 4.28Å; Q217-L281 HydrophobicContact CG-CD2 3.99Å; Q217-L281 HydrophobicContact CG-CG 4.1Å |
| 218 | Y | 90.2 | Very high | 79.1 | Confident | 89 Ų | 89 | 54 Ų | 54 | 35% | 0.349 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.7 | -65 | -71.4 | 0 | 0 | 0 | 111.9 | S216 A222 F277 F313 E314 | S216-Y218 PolarHBondContact O-N 3.4Å; S216-Y218 VanDerWaalsContact O-N 3.14Å; S216-Y218 PolarHBondContact OG-N 3.41Å; Y218-A222 VanDerWaalsContact O-CB 3.3Å; Y218-A222 WeakPolarHBondContact O-CB 3.27Å; Y218-A222 PolarHBondContact O-N 3.39Å; Y218-F277 AromaticContact CD1-CE1 3.91Å; Y218-F277 HydrophobicContact CD1-CE1 3.91Å; Y218-F277 HydrophobicContact CD1-CZ 4.49Å; Y218-F277 HydrophobicContact CE1-CE1 4.15Å; Y218-F313 HydrophobicContact CE1-CB 3.66Å; Y218-F313 HydrophobicContact CE1-CD1 4.48Å; Y218-F313 HydrophobicContact CE1-CG 4.09Å; Y218-F313 WeakPolarHBondContact OH-CB 3.37Å; Y218-E314 HydrophobicContact CE2-CG 4.2Å; Y218-E314 WeakPolarHBondContact OH-CG 3.37Å; Y218-E314 PolarHBondContact OH-OE1 3.4Å |
| 219 | R | 90.9 | Very high | 81.6 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.8 | -41.2 | 179.3 | -62.3 | -178 | -177.4 | 123.4 | -3.4 | 110.9 | Y197 M198 S201 V215 S216 A222 H223 | Y197-R219 HydrophobicContact CD1-CG 4.29Å; Y197-R219 HydrophobicContact CE1-CG 3.78Å; Y197-R219 VanDerWaalsContact CE1-NE 3.26Å; Y197-R219 PolarHBondContact OH-NE 2.86Å; Y197-R219 VanDerWaalsContact OH-NE 3.17Å; Y197-R219 PolarHBondContact OH-NH2 2.82Å; M198-R219 HydrophobicContact CB-CB 4.37Å; M198-R219 HydrophobicContact CG-CB 4.06Å; S201-R219 WeakPolarHBondContact OG-CD 3.33Å; S201-R219 PolarHBondContact OG-NE 2.84Å; S201-R219 PolarHBondContact OG-NH1 3.04Å; V215-R219 HydrophobicContact CG1-CB 4.46Å; S216-R219 PolarHBondContact O-N 3.34Å; R219-A222 PolarHBondContact O-N 2.96Å; R219-H223 WeakPolarHBondContact O-CB 3.29Å; R219-H223 PolarHBondContact O-N 3.13Å |
| 220 | L | 89.1 | Confident | 83.9 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 173.2 | 179 | 62.8 | 0 | 0 | 0 | 111.3 | M198 V215 S216 A222 H223 L224 A279 | M198-L220 HydrophobicContact SD-CD1 4.36Å; V215-L220 HydrophobicContact CG1-CB 4.35Å; S216-L220 PolarHBondContact O-N 2.84Å; L220-A222 PolarHBondContact O-N 2.73Å; L220-H223 PolarHBondContact O-N 3.42Å; L220-L224 WeakPolarHBondContact O-CB 3.38Å; L220-L224 PolarHBondContact O-N 2.91Å; L220-A279 HydrophobicContact CD2-CB 4.38Å |
| 221 | C | 93.8 | Very high | 86.3 | Confident | 15 Ų | 15 | 37 Ų | 37 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | Q217 H223 G225 A276 F277 | Q217-C221 VanDerWaalsContact O-CB 3.25Å; Q217-C221 WeakPolarHBondContact O-CB 3.42Å; Q217-C221 PolarHBondContact O-N 3.39Å; C221-H223 VanDerWaalsContact C-N 3.34Å; C221-H223 PolarHBondContact O-N 3.28Å; C221-G225 WeakPolarHBondContact O-CA 3.47Å; C221-G225 PolarHBondContact O-N 3.33Å; C221-A276 HydrophobicContact CB-CB 3.89Å; C221-F277 HydrophobicContact CB-CD2 4.2Å; C221-F277 HydrophobicContact CB-CE1 4.31Å; C221-F277 HydrophobicContact CB-CE2 3.78Å; C221-F277 HydrophobicContact CB-CZ 3.83Å; C221-F277 WeakPolarHBondContact SG-CE2 3.39Å |
| 222 | A | 94.9 | Very high | 88.3 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 40% | 0.397 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L194 Y218 R219 L220 S226 | L194-A222 HydrophobicContact CD1-CB 4.2Å; L194-A222 HydrophobicContact CD2-CB 4.36Å; Y218-A222 VanDerWaalsContact O-CB 3.3Å; Y218-A222 WeakPolarHBondContact O-CB 3.27Å; Y218-A222 PolarHBondContact O-N 3.39Å; R219-A222 PolarHBondContact O-N 2.96Å; L220-A222 PolarHBondContact O-N 2.73Å; A222-S226 VanDerWaalsContact O-CB 3.3Å; A222-S226 WeakPolarHBondContact O-CB 3.48Å; A222-S226 PolarHBondContact O-N 3Å; A222-S226 PolarHBondContact O-OG 3.3Å |
| 223 | H | 94.9 | Very high | 90.2 | Very high | 31 Ų | 31 | 31 Ų | 31 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -55.2 | 178.1 | -164.6 | 51.4 | 0 | 0 | 0 | 111.5 | Q191 L194 M198 R219 L220 C221 G225 S226 A227 | Q191-H223 PolarHBondContact O-CE1 2.9Å; Q191-H223 VanDerWaalsContact O-CE1 3.31Å; Q191-H223 PolarHBondContact OE1-CE1 3.34Å; Q191-H223 PolarHBondContact OE1-O 3.49Å; L194-H223 VanDerWaalsContact CD2-CA 3.4Å; L194-H223 HydrophobicContact CD2-CB 3.37Å; M198-H223 HydrophobicContact SD-CB 3.81Å; R219-H223 WeakPolarHBondContact O-CB 3.29Å; R219-H223 PolarHBondContact O-N 3.13Å; L220-H223 PolarHBondContact O-N 3.42Å; C221-H223 VanDerWaalsContact C-N 3.34Å; C221-H223 PolarHBondContact O-N 3.28Å; H223-G225 VanDerWaalsContact C-N 3.33Å; H223-G225 PolarHBondContact O-N 2.9Å; H223-S226 PolarHBondContact O-N 3.47Å; H223-S226 PolarHBondContact O-OG 2.91Å; H223-A227 WeakPolarHBondContact O-CB 3.46Å; H223-A227 PolarHBondContact O-N 2.71Å |
| 224 | L | 94.8 | Very high | 92 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 15% | 0.152 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 178.7 | -179.4 | 62.8 | 0 | 0 | 0 | 111.2 | V81 L220 S226 A227 L228 A276 | V81-L224 HydrophobicContact CB-CD1 4.48Å; V81-L224 HydrophobicContact CG1-CD1 3.64Å; V81-L224 HydrophobicContact CG2-CD1 4.1Å; L220-L224 WeakPolarHBondContact O-CB 3.38Å; L220-L224 PolarHBondContact O-N 2.91Å; L224-S226 PolarHBondContact O-N 2.96Å; L224-A227 WeakPolarHBondContact O-CB 3.28Å; L224-A227 PolarHBondContact O-N 3.37Å; L224-L228 HydrophobicContact CD1-CG 4.29Å; L224-L228 HydrophobicContact CG-CD1 4.21Å; L224-L228 HydrophobicContact CG-CG 4.37Å; L224-L228 WeakPolarHBondContact O-CG 3.19Å; L224-L228 PolarHBondContact O-N 3.42Å; L224-A276 HydrophobicContact CD2-CB 3.9Å |
| 225 | G | 96.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C221 H223 L228 V229 | C221-G225 WeakPolarHBondContact O-CA 3.47Å; C221-G225 PolarHBondContact O-N 3.33Å; H223-G225 VanDerWaalsContact C-N 3.33Å; H223-G225 PolarHBondContact O-N 2.9Å; G225-L228 PolarHBondContact O-N 3.46Å; G225-V229 WeakPolarHBondContact O-CG2 3.32Å; G225-V229 PolarHBondContact O-N 2.9Å |
| 226 | S | 97.1 | Very high | 95 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.9 | -34.1 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | F187 Q191 A222 H223 L224 V229 L230 | F187-S226 WeakPolarHBondContact CE1-O 3.26Å; Q191-S226 VanDerWaalsContact NE2-C 3.34Å; Q191-S226 PolarHBondContact NE2-OG 2.74Å; A222-S226 VanDerWaalsContact O-CB 3.3Å; A222-S226 WeakPolarHBondContact O-CB 3.48Å; A222-S226 PolarHBondContact O-N 3Å; A222-S226 PolarHBondContact O-OG 3.3Å; H223-S226 PolarHBondContact O-N 3.47Å; H223-S226 PolarHBondContact O-OG 2.91Å; L224-S226 PolarHBondContact O-N 2.96Å; S226-V229 PolarHBondContact O-N 3.27Å; S226-L230 PolarHBondContact O-N 3.46Å |
| 227 | A | 97.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V81 H223 L224 L230 Y231 | V81-A227 HydrophobicContact CG2-CB 4.2Å; H223-A227 WeakPolarHBondContact O-CB 3.46Å; H223-A227 PolarHBondContact O-N 2.71Å; L224-A227 WeakPolarHBondContact O-CB 3.28Å; L224-A227 PolarHBondContact O-N 3.37Å; A227-L230 PolarHBondContact O-N 2.78Å; A227-Y231 WeakPolarHBondContact O-CB 3.33Å; A227-Y231 PolarHBondContact O-N 3.44Å |
| 228 | L | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 175.8 | -68.2 | 179.1 | 0 | 0 | 0 | 112.2 | L224 G225 Y231 C232 F269 A272 V389 L392 | L224-L228 HydrophobicContact CD1-CG 4.29Å; L224-L228 HydrophobicContact CG-CD1 4.21Å; L224-L228 HydrophobicContact CG-CG 4.37Å; L224-L228 WeakPolarHBondContact O-CG 3.19Å; L224-L228 PolarHBondContact O-N 3.42Å; G225-L228 PolarHBondContact O-N 3.46Å; L228-Y231 WeakPolarHBondContact O-CB 3.48Å; L228-Y231 PolarHBondContact O-N 2.95Å; L228-C232 WeakPolarHBondContact O-CB 3.34Å; L228-C232 PolarHBondContact O-N 2.89Å; L228-C232 PolarHBondContact O-SG 2.83Å; L228-F269 HydrophobicContact CB-CD2 4.31Å; L228-F269 HydrophobicContact CB-CE2 3.64Å; L228-F269 HydrophobicContact CB-CZ 4.5Å; L228-A272 HydrophobicContact CD1-CB 3.98Å; L228-V389 HydrophobicContact CD2-CG2 4.18Å; L228-L392 HydrophobicContact CB-CD2 4.42Å; L228-L392 HydrophobicContact CD2-CD2 4.11Å |
| 229 | V | 98.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 24.1 Ų | 24.1 | 38% | 0.376 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 172.9 | 169.4 | 0 | 0 | 0 | 0 | 111 | F187 G225 S226 Y231 C232 A233 F269 | F187-V229 HydrophobicContact CE1-CB 4.19Å; F187-V229 HydrophobicContact CE1-CG1 4.03Å; F187-V229 HydrophobicContact CZ-CB 4.49Å; F187-V229 HydrophobicContact CZ-CG1 3.98Å; G225-V229 WeakPolarHBondContact O-CG2 3.32Å; G225-V229 PolarHBondContact O-N 2.9Å; S226-V229 PolarHBondContact O-N 3.27Å; V229-Y231 VanDerWaalsContact C-N 3.3Å; V229-Y231 PolarHBondContact O-N 3.43Å; V229-C232 PolarHBondContact O-N 2.79Å; V229-A233 WeakPolarHBondContact O-CB 3.38Å; V229-A233 PolarHBondContact O-N 3.38Å; V229-F269 HydrophobicContact CG2-CE2 4.02Å; V229-F269 HydrophobicContact CG2-CZ 3.7Å |
| 230 | L | 98.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 174.8 | 171.8 | 61.1 | 0 | 0 | 0 | 110.8 | V77 Y160 L184 F187 V188 Q191 S226 A227 A233 S234 | V77-L230 HydrophobicContact CG2-CD2 4.12Å; V77-L230 HydrophobicContact CG2-CG 4.38Å; Y160-L230 HydrophobicContact CE1-CD1 4.11Å; L184-L230 HydrophobicContact CB-CD1 4.36Å; L184-L230 HydrophobicContact CD2-CD1 3.82Å; F187-L230 HydrophobicContact CB-CD1 4.18Å; F187-L230 HydrophobicContact CD1-CB 4.02Å; V188-L230 HydrophobicContact CG2-CD1 4.11Å; V188-L230 HydrophobicContact CG2-CD2 3.62Å; Q191-L230 HydrophobicContact CG-CD2 4.12Å; S226-L230 PolarHBondContact O-N 3.46Å; A227-L230 PolarHBondContact O-N 2.78Å; L230-A233 PolarHBondContact O-N 3.12Å; L230-S234 WeakPolarHBondContact O-CB 3.4Å; L230-S234 PolarHBondContact O-N 3.17Å; L230-S234 PolarHBondContact O-OG 3.41Å |
| 231 | Y | 98.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.7 | -53.2 | 175.9 | 170.6 | -104 | 0 | 0 | 0 | 112.1 | S74 V78 A227 L228 V229 A233 S234 L235 V389 L392 T393 | S74-Y231 WeakPolarHBondContact O-CD2 3.39Å; V78-Y231 HydrophobicContact CG2-CD2 3.86Å; V78-Y231 HydrophobicContact CG2-CE2 3.32Å; A227-Y231 WeakPolarHBondContact O-CB 3.33Å; A227-Y231 PolarHBondContact O-N 3.44Å; L228-Y231 WeakPolarHBondContact O-CB 3.48Å; L228-Y231 PolarHBondContact O-N 2.95Å; V229-Y231 VanDerWaalsContact C-N 3.3Å; V229-Y231 PolarHBondContact O-N 3.43Å; Y231-A233 VanDerWaalsContact C-N 3.33Å; Y231-A233 PolarHBondContact O-N 2.7Å; Y231-S234 PolarHBondContact O-N 3.09Å; Y231-L235 HydrophobicContact CE1-CD2 3.98Å; Y231-L235 HydrophobicContact CE2-CD2 4.49Å; Y231-L235 WeakPolarHBondContact O-CB 3.29Å; Y231-L235 PolarHBondContact O-N 2.96Å; Y231-V389 HydrophobicContact CD1-CG1 4.41Å; Y231-V389 HydrophobicContact CE1-CG1 3.99Å; Y231-V389 HydrophobicContact CE2-CG1 4.46Å; Y231-L392 HydrophobicContact CD1-CD2 4.36Å; Y231-T393 WeakPolarHBondContact OH-CB 3.22Å; Y231-T393 WeakPolarHBondContact OH-CG2 3.34Å; Y231-T393 PolarHBondContact OH-OG1 2.9Å |
| 232 | C | 98.6 | Very high | 96.9 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 14% | 0.135 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 179.7 | -75.1 | 0 | 0 | 0 | 0 | 111.8 | L228 V229 W236 L392 I396 | L228-C232 WeakPolarHBondContact O-CB 3.34Å; L228-C232 PolarHBondContact O-N 2.89Å; L228-C232 PolarHBondContact O-SG 2.83Å; V229-C232 PolarHBondContact O-N 2.79Å; C232-W236 WeakPolarHBondContact O-CB 3.47Å; C232-W236 PolarHBondContact O-N 3.19Å; C232-L392 VanDerWaalsContact SG-CD2 3.54Å; C232-I396 HydrophobicContact CB-CD1 4.11Å; C232-I396 HydrophobicContact CB-CG1 4.4Å |
| 233 | A | 98.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 25 Ų | 25 | 31% | 0.314 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66.2 | -44.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L184 V229 L230 Y231 T237 | L184-A233 HydrophobicContact CD2-CB 3.72Å; V229-A233 WeakPolarHBondContact O-CB 3.38Å; V229-A233 PolarHBondContact O-N 3.38Å; L230-A233 PolarHBondContact O-N 3.12Å; Y231-A233 VanDerWaalsContact C-N 3.33Å; Y231-A233 PolarHBondContact O-N 2.7Å; A233-T237 VanDerWaalsContact O-CB 3.29Å; A233-T237 WeakPolarHBondContact O-CB 3.45Å; A233-T237 PolarHBondContact O-N 3.29Å; A233-T237 PolarHBondContact O-OG1 2.91Å |
| 234 | S | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.6 | -69.5 | 0 | 0 | 0 | 0 | 112 | S74 Y160 L184 L230 Y231 T237 G238 | S74-S234 VanDerWaalsContact OG-C 3.3Å; S74-S234 VanDerWaalsContact OG-CB 3.22Å; S74-S234 WeakPolarHBondContact OG-CB 3.32Å; Y160-S234 WeakPolarHBondContact CE1-OG 3.3Å; Y160-S234 VanDerWaalsContact OH-CB 3.3Å; Y160-S234 WeakPolarHBondContact OH-CB 3.18Å; Y160-S234 PolarHBondContact OH-OG 3.17Å; L184-S234 WeakPolarHBondContact CD2-OG 3.07Å; L230-S234 WeakPolarHBondContact O-CB 3.4Å; L230-S234 PolarHBondContact O-N 3.17Å; L230-S234 PolarHBondContact O-OG 3.41Å; Y231-S234 PolarHBondContact O-N 3.09Å; S234-T237 PolarHBondContact O-N 3.4Å; S234-G238 PolarHBondContact O-N 3.15Å |
| 235 | L | 98.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 178.8 | 177.1 | 66.2 | 0 | 0 | 0 | 110.5 | L71 S74 Y231 T237 G238 L239 T393 I396 | L71-L235 HydrophobicContact CD2-CD1 3.68Å; S74-L235 WeakPolarHBondContact OG-CA 3.22Å; S74-L235 PolarHBondContact OG-N 2.93Å; Y231-L235 HydrophobicContact CE1-CD2 3.98Å; Y231-L235 HydrophobicContact CE2-CD2 4.49Å; Y231-L235 WeakPolarHBondContact O-CB 3.29Å; Y231-L235 PolarHBondContact O-N 2.96Å; L235-T237 VanDerWaalsContact C-N 3.33Å; L235-T237 PolarHBondContact O-N 3.07Å; L235-G238 PolarHBondContact O-N 3.18Å; L235-L239 HydrophobicContact CD1-CD1 3.96Å; L235-L239 HydrophobicContact CD1-CG 4.03Å; L235-L239 HydrophobicContact CG-CD1 3.94Å; L235-L239 HydrophobicContact CG-CG 4.35Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 VanDerWaalsContact O-CG 3.27Å; L235-L239 WeakPolarHBondContact O-CG 3.37Å; L235-L239 PolarHBondContact O-N 2.93Å; L235-T393 HydrophobicContact CD2-CG2 3.83Å; L235-I396 HydrophobicContact CB-CG2 4.39Å; L235-I396 HydrophobicContact CD2-CB 3.79Å; L235-I396 HydrophobicContact CD2-CG1 4.31Å; L235-I396 HydrophobicContact CD2-CG2 3.75Å; L235-I396 HydrophobicContact CG-CB 4.48Å; L235-I396 HydrophobicContact CG-CG2 3.89Å |
| 236 | W | 97.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 29.5 Ų | 29.5 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -55 | -50.3 | 176 | 172.4 | -96.4 | 0 | 0 | 0 | 111 | C232 G238 L239 T240 I396 L399 A400 R403 | C232-W236 WeakPolarHBondContact O-CB 3.47Å; C232-W236 PolarHBondContact O-N 3.19Å; W236-G238 PolarHBondContact O-N 2.97Å; W236-L239 PolarHBondContact O-N 2.63Å; W236-T240 HydrophobicContact CD2-CG2 4.12Å; W236-T240 HydrophobicContact CG-CG2 4.45Å; W236-T240 HydrophobicContact CZ2-CG2 4.04Å; W236-T240 WeakPolarHBondContact O-CB 3.24Å; W236-T240 WeakPolarHBondContact O-CG2 3.29Å; W236-T240 PolarHBondContact O-N 3.21Å; W236-T240 PolarHBondContact O-OG1 2.82Å; W236-I396 HydrophobicContact CB-CG2 4.09Å; W236-I396 HydrophobicContact CE3-CG2 4.26Å; W236-L399 HydrophobicContact CE3-CB 4.34Å; W236-L399 HydrophobicContact CH2-CB 4.41Å; W236-L399 VanDerWaalsContact CZ3-C 3.41Å; W236-L399 HydrophobicContact CZ3-CB 3.56Å; W236-A400 HydrophobicContact CE3-CB 4.24Å; W236-A400 HydrophobicContact CZ3-CB 4.07Å; W236-R403 HydrophobicContact CH2-CB 4.08Å |
| 237 | T | 97.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | -178.2 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | L70 M177 K180 A233 S234 L235 T240 L241 | L70-T237 HydrophobicContact CD1-CG2 3.47Å; L70-T237 VanDerWaalsContact CD1-CG2 3.47Å; M177-T237 HydrophobicContact CE-CG2 3.83Å; M177-T237 HydrophobicContact SD-CG2 3.99Å; K180-T237 HydrophobicContact CD-CG2 4.5Å; A233-T237 VanDerWaalsContact O-CB 3.29Å; A233-T237 WeakPolarHBondContact O-CB 3.45Å; A233-T237 PolarHBondContact O-N 3.29Å; A233-T237 PolarHBondContact O-OG1 2.91Å; S234-T237 PolarHBondContact O-N 3.4Å; L235-T237 VanDerWaalsContact C-N 3.33Å; L235-T237 PolarHBondContact O-N 3.07Å; T237-T240 PolarHBondContact O-N 3.14Å; T237-T240 PolarHBondContact O-OG1 2.82Å; T237-L241 HydrophobicContact CG2-CD1 4.38Å; T237-L241 WeakPolarHBondContact O-CG 3.46Å; T237-L241 PolarHBondContact O-N 2.88Å; T237-L241 VanDerWaalsContact O-N 3.13Å |
| 238 | G | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S234 L235 W236 T240 L241 M242 | S234-G238 PolarHBondContact O-N 3.15Å; L235-G238 PolarHBondContact O-N 3.18Å; W236-G238 PolarHBondContact O-N 2.97Å; G238-T240 VanDerWaalsContact C-N 3.34Å; G238-T240 PolarHBondContact O-N 3.5Å; G238-L241 PolarHBondContact O-N 3.48Å; G238-M242 WeakPolarHBondContact O-CG 3.48Å; G238-M242 PolarHBondContact O-N 2.86Å |
| 239 | L | 96.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 43.4 Ų | 43.4 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.8 | -70 | 177.6 | 0 | 0 | 0 | 112 | L71 L235 W236 L241 M242 L243 I396 W397 A400 | L71-L239 HydrophobicContact CD2-CD2 4.06Å; L71-L239 HydrophobicContact CD2-CG 4.05Å; L235-L239 HydrophobicContact CD1-CD1 3.96Å; L235-L239 HydrophobicContact CD1-CG 4.03Å; L235-L239 HydrophobicContact CG-CD1 3.94Å; L235-L239 HydrophobicContact CG-CG 4.35Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 VanDerWaalsContact O-CG 3.27Å; L235-L239 WeakPolarHBondContact O-CG 3.37Å; L235-L239 PolarHBondContact O-N 2.93Å; W236-L239 PolarHBondContact O-N 2.63Å; L239-L241 VanDerWaalsContact C-N 3.3Å; L239-L241 PolarHBondContact O-N 3.33Å; L239-M242 PolarHBondContact O-N 2.9Å; L239-L243 HydrophobicContact CB-CD1 4.27Å; L239-L243 HydrophobicContact CD2-CD1 3.97Å; L239-L243 HydrophobicContact CD2-CG 4.46Å; L239-L243 VanDerWaalsContact O-CB 3.23Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.31Å; L239-I396 HydrophobicContact CD1-CG2 4.32Å; L239-W397 HydrophobicContact CD1-CB 4.22Å; L239-A400 HydrophobicContact CB-CB 4.11Å; L239-A400 HydrophobicContact CD1-CB 4.21Å |
| 240 | T | 94.6 | Very high | 92.7 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -29.2 | 179.7 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | W236 T237 G238 R403 | W236-T240 HydrophobicContact CD2-CG2 4.12Å; W236-T240 HydrophobicContact CG-CG2 4.45Å; W236-T240 HydrophobicContact CZ2-CG2 4.04Å; W236-T240 WeakPolarHBondContact O-CB 3.24Å; W236-T240 WeakPolarHBondContact O-CG2 3.29Å; W236-T240 PolarHBondContact O-N 3.21Å; W236-T240 PolarHBondContact O-OG1 2.82Å; T237-T240 PolarHBondContact O-N 3.14Å; T237-T240 PolarHBondContact O-OG1 2.82Å; G238-T240 VanDerWaalsContact C-N 3.34Å; G238-T240 PolarHBondContact O-N 3.5Å; T240-R403 PolarHBondContact O-NH2 3.25Å |
| 241 | L | 94.3 | Very high | 92.4 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.7 | -32.7 | 174 | -69.6 | 173.4 | 0 | 0 | 0 | 112.8 | N63 V66 L70 M177 T237 G238 L239 | N63-L241 HydrophobicContact CB-CD2 4.07Å; N63-L241 WeakPolarHBondContact O-CB 3.36Å; V66-L241 HydrophobicContact CB-CD1 4.11Å; V66-L241 HydrophobicContact CG1-CD1 3.67Å; L70-L241 HydrophobicContact CD1-CD1 4.23Å; M177-L241 HydrophobicContact CE-CD1 3.77Å; M177-L241 HydrophobicContact CE-CD2 3.88Å; M177-L241 HydrophobicContact CE-CG 4.14Å; T237-L241 HydrophobicContact CG2-CD1 4.38Å; T237-L241 WeakPolarHBondContact O-CG 3.46Å; T237-L241 PolarHBondContact O-N 2.88Å; T237-L241 VanDerWaalsContact O-N 3.13Å; G238-L241 PolarHBondContact O-N 3.48Å; L239-L241 VanDerWaalsContact C-N 3.3Å; L239-L241 PolarHBondContact O-N 3.33Å |
| 242 | M | 93.6 | Very high | 92.1 | Very high | 62 Ų | 62 | 54.9 Ų | 54.9 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -88 | -40 | -176.4 | -69.8 | -150.6 | 70.7 | 0 | 0 | 113.8 | R68 L71 G238 L239 | R68-M242 HydrophobicContact CB-SD 4.42Å; R68-M242 HydrophobicContact CG-CE 3.55Å; R68-M242 HydrophobicContact CG-SD 3.58Å; R68-M242 VanDerWaalsContact CG-SD 3.58Å; L71-M242 HydrophobicContact CD1-CG 4.3Å; L71-M242 HydrophobicContact CD1-SD 3.42Å; L71-M242 WeakPolarHBondContact CD1-SD 3.44Å; L71-M242 HydrophobicContact CG-SD 4.4Å; G238-M242 WeakPolarHBondContact O-CG 3.48Å; G238-M242 PolarHBondContact O-N 2.86Å; L239-M242 PolarHBondContact O-N 2.9Å |
| 243 | L | 90.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -93.4 | 127.6 | -172.8 | -60.5 | -177.5 | 0 | 0 | 0 | 109.8 | L239 R403 | L239-L243 HydrophobicContact CB-CD1 4.27Å; L239-L243 HydrophobicContact CD2-CD1 3.97Å; L239-L243 HydrophobicContact CD2-CG 4.46Å; L239-L243 VanDerWaalsContact O-CB 3.23Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.31Å; L243-R403 PolarHBondContact O-NH2 3.06Å |
| 244 | P | 85.4 | Confident | 91.7 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -67 | 140.2 | 171.5 | 27.6 | -31.1 | 0 | 0 | 0 | 109.4 | R349 | P244-R349 PolarHBondContact O-NH2 2.63Š|
| 245 | A | 84.8 | Confident | 91.6 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 140.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R403 M405 | A245-R403 HydrophobicContact CB-CG 4.33Å; A245-M405 HydrophobicContact CB-CG 4.3Å; A245-M405 HydrophobicContact CB-SD 3.22Å; A245-M405 WeakPolarHBondContact CB-SD 3.25Å |
| 246 | H | 84.4 | Confident | 91.5 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 135 | 179.3 | -64.4 | 102.7 | 0 | 0 | 0 | 110.4 | M248 P347 R349 E401 | H246-M248 HydrophobicContact CB-CG 4.29Å; H246-M248 PolarHBondContact O-N 2.85Å; H246-P347 HydrophobicContact CB-CB 4.39Å; H246-P347 HydrophobicContact CB-CG 3.61Å; H246-P347 VanDerWaalsContact CG-CG 3.48Å; H246-R349 PolarHBondContact CE1-NE 3.03Å; H246-R349 PolarHBondContact CE1-NH2 2.64Å; H246-R349 PolarHBondContact NE2-NH2 2.87Å; H246-R349 VanDerWaalsContact NE2-NH2 3.14Å; H246-E401 IonicContact CE1-OE2 3.5Å; H246-E401 PolarHBondContact CE1-OE2 2.92Å; H246-E401 IonicContact ND1-OE2 3.83Å; H246-E401 PolarHBondContact ND1-OE2 3.03Å |
| 247 | K | 83.2 | Confident | 91.4 | Very high | 198 Ų | 198 | 65.1 Ų | 65.1 | 86% | 0.861 | 34% | 0.336 | S | S | * | . | trans | -70.6 | 109.4 | 165.6 | -68.2 | -174.6 | -179.4 | -178.8 | 0 | 107.8 | ||||
| 248 | M | 85.9 | Confident | 91.4 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 16% | 0.163 | 34% | 0.339 | C | S | . | . | trans | -117.9 | 133 | 173.5 | -64.9 | 179.5 | -78.6 | 0 | 0 | 107.8 | H246 D250 L254 P347 | H246-M248 HydrophobicContact CB-CG 4.29Å; H246-M248 PolarHBondContact O-N 2.85Å; M248-D250 PolarHBondContact O-N 2.69Å; M248-L254 HydrophobicContact CB-CD2 3.61Å; M248-L254 HydrophobicContact SD-CD1 4.01Å; M248-L254 HydrophobicContact SD-CD2 4.3Å; M248-P347 HydrophobicContact CG-CG 4.3Å; M248-P347 HydrophobicContact SD-CG 4.32Å | ||
| 249 | A | 84.7 | Confident | 91.4 | Very high | 89 Ų | 89 | 74 Ų | 74 | 74% | 0.736 | 37% | 0.373 | S | S | * | . | trans | -59.3 | 123.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S251 L254 | A249-S251 PolarHBondContact O-N 2.93Å; A249-S251 VanDerWaalsContact O-N 3.15Å; A249-L254 WeakPolarHBondContact O-CD2 3.41Å | ||
| 250 | D | 85.8 | Confident | 91.5 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | trans | -64.8 | 117.8 | 177.8 | -92.3 | -18.8 | 0 | 0 | 0 | 108.5 | M248 R258 K404 | M248-D250 PolarHBondContact O-N 2.69Å; D250-R258 IonicContact OD1-NH1 3.01Å; D250-R258 PolarHBondContact OD1-NH1 3.19Å; D250-K404 IonicContact OD1-NZ 3.92Å; D250-K404 WeakPolarHBondContact OD2-CE 3.41Å; D250-K404 IonicContact OD2-NZ 2.71Å; D250-K404 PolarHBondContact OD2-NZ 2.76Å | ||
| 251 | S | 91.8 | Very high | 91.6 | Very high | 53 Ų | 53 | 75 Ų | 75 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | trans | -136.6 | 156.5 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | A249 R253 L254 M255 | A249-S251 PolarHBondContact O-N 2.93Å; A249-S251 VanDerWaalsContact O-N 3.15Å; S251-R253 VanDerWaalsContact C-N 3.26Å; S251-R253 PolarHBondContact O-N 3.04Å; S251-L254 PolarHBondContact O-N 2.91Å; S251-L254 VanDerWaalsContact O-N 3.14Å; S251-L254 WeakPolarHBondContact OG-CB 3.46Å; S251-L254 PolarHBondContact OG-N 3.45Å; S251-M255 PolarHBondContact O-N 2.85Å | ||
| 252 | K | 93.6 | Very high | 91.8 | Very high | 170 Ų | 170 | 80.3 Ų | 80.3 | 74% | 0.739 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -55.1 | -42.7 | 176.2 | -69.4 | -177 | -179.5 | 178.6 | 0 | 111.8 | M255 Q256 | K252-M255 HydrophobicContact CB-CE 4.49Å; K252-M255 HydrophobicContact CG-CE 4.21Å; K252-M255 PolarHBondContact O-N 3.22Å; K252-Q256 WeakPolarHBondContact O-CG 3.27Å; K252-Q256 PolarHBondContact O-N 2.95Å |
| 253 | R | 94.3 | Very high | 92.1 | Very high | 164 Ų | 164 | 79.6 Ų | 79.6 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.3 | -40 | 177.1 | -71.3 | -172.9 | -178.7 | 174.9 | 2.4 | 112.9 | S251 M255 Q256 L257 M344 | S251-R253 VanDerWaalsContact C-N 3.26Å; S251-R253 PolarHBondContact O-N 3.04Å; R253-M255 VanDerWaalsContact C-N 3.34Å; R253-Q256 WeakPolarHBondContact O-CB 3.48Å; R253-Q256 PolarHBondContact O-N 3.4Å; R253-L257 PolarHBondContact O-N 2.74Å; R253-M344 HydrophobicContact CB-CE 4.05Å |
| 254 | L | 94.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 77.8 Ų | 77.8 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 175.5 | -177.9 | 62.2 | 0 | 0 | 0 | 112 | M248 A249 S251 L257 R258 M344 L346 | M248-L254 HydrophobicContact CB-CD2 3.61Å; M248-L254 HydrophobicContact SD-CD1 4.01Å; M248-L254 HydrophobicContact SD-CD2 4.3Å; A249-L254 WeakPolarHBondContact O-CD2 3.41Å; S251-L254 PolarHBondContact O-N 2.91Å; S251-L254 VanDerWaalsContact O-N 3.14Å; S251-L254 WeakPolarHBondContact OG-CB 3.46Å; S251-L254 PolarHBondContact OG-N 3.45Å; L254-L257 HydrophobicContact CD1-CD2 4.3Å; L254-L257 PolarHBondContact O-N 2.9Å; L254-R258 VanDerWaalsContact O-CG 3.31Å; L254-R258 WeakPolarHBondContact O-CG 3.41Å; L254-R258 PolarHBondContact O-N 3.28Å; L254-M344 HydrophobicContact CB-CE 4.4Å; L254-L346 HydrophobicContact CD1-CD2 4.41Å |
| 255 | M | 94.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 74 Ų | 74 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 173.5 | -67.1 | -171 | -68.1 | 0 | 0 | 112 | S251 K252 R253 R258 K259 | S251-M255 PolarHBondContact O-N 2.85Å; K252-M255 HydrophobicContact CB-CE 4.49Å; K252-M255 HydrophobicContact CG-CE 4.21Å; K252-M255 PolarHBondContact O-N 3.22Å; R253-M255 VanDerWaalsContact C-N 3.34Å; M255-R258 PolarHBondContact O-N 3.37Å; M255-K259 WeakPolarHBondContact O-CG 3.35Å; M255-K259 PolarHBondContact O-N 3.38Å |
| 256 | Q | 96.5 | Very high | 93.8 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 173.3 | -73.4 | 171.6 | -27.3 | 0 | 0 | 111.4 | K252 R253 R258 K259 F260 F340 | K252-Q256 WeakPolarHBondContact O-CG 3.27Å; K252-Q256 PolarHBondContact O-N 2.95Å; R253-Q256 WeakPolarHBondContact O-CB 3.48Å; R253-Q256 PolarHBondContact O-N 3.4Å; Q256-R258 VanDerWaalsContact C-N 3.33Å; Q256-R258 PolarHBondContact O-N 3Å; Q256-K259 PolarHBondContact O-N 3.37Å; Q256-F260 WeakPolarHBondContact O-CB 3.49Å; Q256-F260 PolarHBondContact O-N 3.46Å; Q256-F340 HydrophobicContact CB-CE1 4.49Å; Q256-F340 HydrophobicContact CB-CZ 4.2Å |
| 257 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 176 | -178.3 | 68.2 | 0 | 0 | 0 | 111.5 | R253 L254 F260 A261 L337 F340 M344 L346 L402 | R253-L257 PolarHBondContact O-N 2.74Å; L254-L257 HydrophobicContact CD1-CD2 4.3Å; L254-L257 PolarHBondContact O-N 2.9Å; L257-F260 PolarHBondContact O-N 3.17Å; L257-A261 WeakPolarHBondContact O-CB 3.47Å; L257-A261 PolarHBondContact O-N 3.49Å; L257-L337 HydrophobicContact CD1-CD1 3.61Å; L257-F340 HydrophobicContact CB-CD1 4.34Å; L257-F340 HydrophobicContact CB-CE1 3.88Å; L257-F340 HydrophobicContact CD1-CD1 3.7Å; L257-F340 HydrophobicContact CD1-CE1 4.13Å; L257-M344 HydrophobicContact CB-CE 4.11Å; L257-M344 HydrophobicContact CB-SD 4.07Å; L257-M344 HydrophobicContact CD1-SD 4.34Å; L257-M344 HydrophobicContact CD2-CE 3.99Å; L257-M344 HydrophobicContact CD2-SD 3.9Å; L257-M344 HydrophobicContact CG-SD 4.33Å; L257-L346 HydrophobicContact CD2-CD1 3.79Å; L257-L346 HydrophobicContact CD2-CD2 3.79Å; L257-L346 HydrophobicContact CD2-CG 4.42Å; L257-L402 HydrophobicContact CD2-CD1 4.07Å; L257-L402 HydrophobicContact CD2-CD2 3.79Å; L257-L402 HydrophobicContact CG-CD1 4.01Å |
| 258 | R | 96.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 178 | -74.7 | 168.3 | 170.8 | 156.1 | 0.1 | 111.9 | D250 L254 M255 Q256 K262 L402 | D250-R258 IonicContact OD1-NH1 3.01Å; D250-R258 PolarHBondContact OD1-NH1 3.19Å; L254-R258 VanDerWaalsContact O-CG 3.31Å; L254-R258 WeakPolarHBondContact O-CG 3.41Å; L254-R258 PolarHBondContact O-N 3.28Å; M255-R258 PolarHBondContact O-N 3.37Å; Q256-R258 VanDerWaalsContact C-N 3.33Å; Q256-R258 PolarHBondContact O-N 3Å; R258-K262 VanDerWaalsContact O-CG 3.29Å; R258-K262 WeakPolarHBondContact O-CG 3.38Å; R258-K262 PolarHBondContact O-N 3.49Å; R258-L402 HydrophobicContact CG-CB 4.3Å; R258-L402 PolarHBondContact NE-O 3.48Å |
| 259 | K | 97.6 | Very high | 95.8 | Very high | 163 Ų | 163 | 66.1 Ų | 66.1 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 177.1 | -73.9 | -178 | 179.4 | -172.5 | 0 | 111 | M255 Q256 K262 G263 | M255-K259 WeakPolarHBondContact O-CG 3.35Å; M255-K259 PolarHBondContact O-N 3.38Å; Q256-K259 PolarHBondContact O-N 3.37Å; K259-K262 PolarHBondContact O-N 2.88Å; K259-G263 PolarHBondContact O-N 3.48Å |
| 260 | F | 98.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 177.8 | -170.6 | -171.2 | 0 | 0 | 0 | 110.7 | Q256 L257 K262 G263 T264 A333 G336 L337 F340 | Q256-F260 WeakPolarHBondContact O-CB 3.49Å; Q256-F260 PolarHBondContact O-N 3.46Å; L257-F260 PolarHBondContact O-N 3.17Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.97Å; F260-G263 PolarHBondContact O-N 2.95Å; F260-G263 VanDerWaalsContact O-N 3.08Å; F260-T264 WeakPolarHBondContact CD2-OG1 3.49Å; F260-T264 WeakPolarHBondContact CE2-OG1 3.47Å; F260-T264 PolarHBondContact O-N 2.99Å; F260-T264 PolarHBondContact O-OG1 2.85Å; F260-A333 HydrophobicContact CE2-CB 4.41Å; F260-A333 VanDerWaalsContact CZ-O 3.29Å; F260-A333 WeakPolarHBondContact CZ-O 3.5Å; F260-G336 VanDerWaalsContact CE1-C 3.47Å; F260-L337 HydrophobicContact CB-CD1 4.28Å; F260-L337 HydrophobicContact CD1-CB 4.25Å; F260-L337 HydrophobicContact CD1-CD1 3.87Å; F260-L337 VanDerWaalsContact CE1-CA 3.42Å; F260-L337 HydrophobicContact CE1-CB 3.97Å; F260-L337 HydrophobicContact CE1-CD1 4.43Å; F260-L337 VanDerWaalsContact CE1-N 3.29Å; F260-L337 HydrophobicContact CG-CD1 4.05Å; F260-L337 HydrophobicContact CZ-CB 4.11Å; F260-F340 HydrophobicContact CD1-CD1 4.44Å; F260-F340 HydrophobicContact CE1-CB 4.41Å |
| 261 | A | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.4 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L257 G265 L337 V398 L399 L402 | L257-A261 WeakPolarHBondContact O-CB 3.47Å; L257-A261 PolarHBondContact O-N 3.49Å; A261-G265 PolarHBondContact O-N 3.28Å; A261-L337 HydrophobicContact CB-CD1 4.11Å; A261-L337 HydrophobicContact CB-CD2 4.14Å; A261-V398 HydrophobicContact CB-CG1 4.24Å; A261-L399 HydrophobicContact CB-CD2 3.79Å; A261-L402 HydrophobicContact CB-CD1 3.92Å |
| 262 | K | 98.4 | Very high | 97.4 | Very high | 144 Ų | 144 | 60.6 Ų | 60.6 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 174.9 | -75 | 177.7 | -178.6 | -170.4 | 0 | 112 | R258 K259 F260 G265 G266 L399 | R258-K262 VanDerWaalsContact O-CG 3.29Å; R258-K262 WeakPolarHBondContact O-CG 3.38Å; R258-K262 PolarHBondContact O-N 3.49Å; K259-K262 PolarHBondContact O-N 2.88Å; F260-K262 VanDerWaalsContact C-N 3.28Å; F260-K262 PolarHBondContact O-N 2.97Å; K262-G265 PolarHBondContact O-N 3.39Å; K262-G266 PolarHBondContact O-N 3.38Å; K262-L399 HydrophobicContact CB-CD2 4.4Å; K262-L399 HydrophobicContact CG-CD2 3.72Å |
| 263 | G | 98.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K259 F260 G265 G266 L267 | K259-G263 PolarHBondContact O-N 3.48Å; F260-G263 PolarHBondContact O-N 2.95Å; F260-G263 VanDerWaalsContact O-N 3.08Å; G263-G265 PolarHBondContact O-N 3Å; G263-G266 PolarHBondContact O-N 3.25Å; G263-L267 PolarHBondContact O-N 3.23Å |
| 264 | T | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | F260 G266 L267 I268 A333 I334 L337 | F260-T264 WeakPolarHBondContact CD2-OG1 3.49Å; F260-T264 WeakPolarHBondContact CE2-OG1 3.47Å; F260-T264 PolarHBondContact O-N 2.99Å; F260-T264 PolarHBondContact O-OG1 2.85Å; T264-G266 VanDerWaalsContact C-N 3.34Å; T264-G266 PolarHBondContact O-N 2.92Å; T264-L267 PolarHBondContact O-N 3.22Å; T264-I268 HydrophobicContact CG2-CD1 4.08Å; T264-I268 VanDerWaalsContact O-CG1 3.3Å; T264-I268 WeakPolarHBondContact O-CG1 3.32Å; T264-I268 PolarHBondContact O-N 3.15Å; T264-A333 HydrophobicContact CG2-CB 4.19Å; T264-I334 HydrophobicContact CG2-CB 4.42Å; T264-I334 HydrophobicContact CG2-CG1 3.48Å; T264-I334 VanDerWaalsContact CG2-CG1 3.48Å; T264-L337 HydrophobicContact CG2-CD2 4.35Å |
| 265 | G | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | A261 K262 G263 I268 F269 | A261-G265 PolarHBondContact O-N 3.28Å; K262-G265 PolarHBondContact O-N 3.39Å; G263-G265 PolarHBondContact O-N 3Å; G265-I268 PolarHBondContact O-N 2.92Å; G265-F269 PolarHBondContact O-N 3.23Å |
| 266 | G | 98.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | K262 G263 T264 F269 L270 | K262-G266 PolarHBondContact O-N 3.38Å; G263-G266 PolarHBondContact O-N 3.25Å; T264-G266 VanDerWaalsContact C-N 3.34Å; T264-G266 PolarHBondContact O-N 2.92Å; G266-F269 PolarHBondContact O-N 2.7Å; G266-L270 WeakPolarHBondContact O-CB 3.39Å; G266-L270 PolarHBondContact O-N 3.14Å |
| 267 | L | 98.8 | Very high | 97.8 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 25% | 0.251 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.8 | -176.7 | 60.7 | 0 | 0 | 0 | 112.4 | G263 T264 F269 L270 T271 L326 A333 | G263-L267 PolarHBondContact O-N 3.23Å; T264-L267 PolarHBondContact O-N 3.22Å; L267-F269 VanDerWaalsContact C-N 3.34Å; L267-L270 PolarHBondContact O-N 3.47Å; L267-T271 WeakPolarHBondContact O-CB 3.25Å; L267-T271 PolarHBondContact O-N 2.99Å; L267-T271 PolarHBondContact O-OG1 3.47Å; L267-L326 HydrophobicContact CD1-CD2 3.85Å; L267-A333 HydrophobicContact CD2-CB 4.02Å |
| 268 | I | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.3 | -68.5 | 163.8 | 0 | 0 | 0 | 110.1 | T264 G265 T271 A272 I334 L357 L391 L392 A395 | T264-I268 HydrophobicContact CG2-CD1 4.08Å; T264-I268 VanDerWaalsContact O-CG1 3.3Å; T264-I268 WeakPolarHBondContact O-CG1 3.32Å; T264-I268 PolarHBondContact O-N 3.15Å; G265-I268 PolarHBondContact O-N 2.92Å; I268-T271 PolarHBondContact O-N 3.41Å; I268-A272 PolarHBondContact O-N 2.91Å; I268-I334 HydrophobicContact CD1-CD1 3.71Å; I268-I334 HydrophobicContact CD1-CG1 4.02Å; I268-I334 HydrophobicContact CG1-CD1 3.92Å; I268-I334 HydrophobicContact CG1-CG1 4.45Å; I268-L357 HydrophobicContact CD1-CD1 4Å; I268-L391 HydrophobicContact CD1-CG 4.47Å; I268-L391 HydrophobicContact CG1-CD2 4.46Å; I268-L391 HydrophobicContact CG2-CD2 4.11Å; I268-L391 HydrophobicContact CG2-CG 4.14Å; I268-L392 HydrophobicContact CG2-CB 4.34Å; I268-L392 HydrophobicContact CG2-CD1 4.16Å; I268-A395 HydrophobicContact CD1-CB 3.74Å |
| 269 | F | 98.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 40 Ų | 40 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 177.1 | -179.7 | -90.1 | 0 | 0 | 0 | 111.6 | L228 V229 G265 G266 L267 T271 A272 L273 L392 | L228-F269 HydrophobicContact CB-CD2 4.31Å; L228-F269 HydrophobicContact CB-CE2 3.64Å; L228-F269 HydrophobicContact CB-CZ 4.5Å; V229-F269 HydrophobicContact CG2-CE2 4.02Å; V229-F269 HydrophobicContact CG2-CZ 3.7Å; G265-F269 PolarHBondContact O-N 3.23Å; G266-F269 PolarHBondContact O-N 2.7Å; L267-F269 VanDerWaalsContact C-N 3.34Å; F269-T271 VanDerWaalsContact C-N 3.33Å; F269-T271 PolarHBondContact O-N 3.49Å; F269-A272 WeakPolarHBondContact O-CB 3.3Å; F269-A272 PolarHBondContact O-N 3.17Å; F269-L273 HydrophobicContact CD1-CD1 4.03Å; F269-L273 HydrophobicContact CD1-CG 4.21Å; F269-L273 HydrophobicContact CE1-CD1 3.47Å; F269-L273 VanDerWaalsContact CE1-CD1 3.47Å; F269-L273 HydrophobicContact CE1-CD2 4.26Å; F269-L273 HydrophobicContact CE1-CG 3.86Å; F269-L273 HydrophobicContact CZ-CD1 4.18Å; F269-L273 HydrophobicContact CZ-CD2 4.2Å; F269-L273 HydrophobicContact CZ-CG 4.28Å; F269-L273 WeakPolarHBondContact O-CG 3.44Å; F269-L273 PolarHBondContact O-N 2.94Å; F269-L392 HydrophobicContact CB-CD1 4.34Å; F269-L392 HydrophobicContact CD2-CD2 4.26Å |
| 270 | L | 98.4 | Very high | 97.2 | Very high | 89 Ų | 89 | 32.4 Ų | 32.4 | 47% | 0.466 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.5 | -178.1 | 62 | 0 | 0 | 0 | 112.2 | G266 L267 A272 L273 S274 L326 | G266-L270 WeakPolarHBondContact O-CB 3.39Å; G266-L270 PolarHBondContact O-N 3.14Å; L267-L270 PolarHBondContact O-N 3.47Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A272 PolarHBondContact O-N 3.46Å; L270-L273 WeakPolarHBondContact O-CB 3.19Å; L270-L273 PolarHBondContact O-N 2.92Å; L270-S274 PolarHBondContact O-N 3.46Å; L270-L326 HydrophobicContact CD2-CD2 4.03Å; L270-L326 HydrophobicContact CG-CD1 4.42Å; L270-L326 HydrophobicContact CG-CD2 4.34Å |
| 271 | T | 98.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | L267 I268 F269 L273 S274 G275 H323 L326 S330 | L267-T271 WeakPolarHBondContact O-CB 3.25Å; L267-T271 PolarHBondContact O-N 2.99Å; L267-T271 PolarHBondContact O-OG1 3.47Å; I268-T271 PolarHBondContact O-N 3.41Å; F269-T271 VanDerWaalsContact C-N 3.33Å; F269-T271 PolarHBondContact O-N 3.49Å; T271-L273 VanDerWaalsContact C-N 3.34Å; T271-L273 PolarHBondContact O-N 3.32Å; T271-S274 WeakPolarHBondContact CA-OG 3.43Å; T271-S274 PolarHBondContact O-N 2.99Å; T271-S274 PolarHBondContact O-OG 3Å; T271-G275 PolarHBondContact O-N 3.03Å; T271-H323 PolarHBondContact O-CE1 3.42Å; T271-H323 PolarHBondContact O-ND1 3.22Å; T271-L326 HydrophobicContact CG2-CB 4.08Å; T271-L326 PolarHBondContact OG1-O 3.5Å; T271-S330 PolarHBondContact OG1-OG 3.36Å |
| 272 | A | 98.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L228 I268 F269 L270 G275 S388 | L228-A272 HydrophobicContact CD1-CB 3.98Å; I268-A272 PolarHBondContact O-N 2.91Å; F269-A272 WeakPolarHBondContact O-CB 3.3Å; F269-A272 PolarHBondContact O-N 3.17Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A272 PolarHBondContact O-N 3.46Å; A272-G275 PolarHBondContact O-N 3.48Å; A272-S388 WeakPolarHBondContact CB-OG 3.47Å |
| 273 | L | 96.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 25 Ų | 25 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 174.7 | -68.1 | -173 | 0 | 0 | 0 | 112.7 | F269 L270 T271 G275 A276 | F269-L273 HydrophobicContact CD1-CD1 4.03Å; F269-L273 HydrophobicContact CD1-CG 4.21Å; F269-L273 HydrophobicContact CE1-CD1 3.47Å; F269-L273 VanDerWaalsContact CE1-CD1 3.47Å; F269-L273 HydrophobicContact CE1-CD2 4.26Å; F269-L273 HydrophobicContact CE1-CG 3.86Å; F269-L273 HydrophobicContact CZ-CD1 4.18Å; F269-L273 HydrophobicContact CZ-CD2 4.2Å; F269-L273 HydrophobicContact CZ-CG 4.28Å; F269-L273 WeakPolarHBondContact O-CG 3.44Å; F269-L273 PolarHBondContact O-N 2.94Å; L270-L273 WeakPolarHBondContact O-CB 3.19Å; L270-L273 PolarHBondContact O-N 2.92Å; T271-L273 VanDerWaalsContact C-N 3.34Å; T271-L273 PolarHBondContact O-N 3.32Å; L273-G275 PolarHBondContact O-N 3.18Å; L273-A276 WeakPolarHBondContact O-CB 3.3Å; L273-A276 PolarHBondContact O-N 2.92Å |
| 274 | S | 97.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.9 | -31 | 177.7 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | L270 T271 A276 F277 V278 H323 L326 | L270-S274 PolarHBondContact O-N 3.46Å; T271-S274 WeakPolarHBondContact CA-OG 3.43Å; T271-S274 PolarHBondContact O-N 2.99Å; T271-S274 PolarHBondContact O-OG 3Å; S274-A276 PolarHBondContact O-N 3.21Å; S274-F277 PolarHBondContact O-N 2.82Å; S274-F277 VanDerWaalsContact O-N 3.16Å; S274-V278 PolarHBondContact O-N 3.23Å; S274-V278 VanDerWaalsContact O-N 3.09Å; S274-H323 PolarHBondContact OG-ND1 3.18Å; S274-L326 WeakPolarHBondContact OG-CD1 3.15Å |
| 275 | G | 96.9 | Very high | 96 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 22% | 0.216 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -27.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T271 A272 L273 V278 A279 H323 | T271-G275 PolarHBondContact O-N 3.03Å; A272-G275 PolarHBondContact O-N 3.48Å; L273-G275 PolarHBondContact O-N 3.18Å; G275-V278 PolarHBondContact O-N 3.28Å; G275-A279 WeakPolarHBondContact O-CB 3.49Å; G275-A279 PolarHBondContact O-N 3.21Å; G275-H323 PolarHBondContact N-ND1 2.8Å |
| 276 | A | 94.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -35.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C221 L224 L273 S274 G280 | C221-A276 HydrophobicContact CB-CB 3.89Å; L224-A276 HydrophobicContact CD2-CB 3.9Å; L273-A276 WeakPolarHBondContact O-CB 3.3Å; L273-A276 PolarHBondContact O-N 2.92Å; S274-A276 PolarHBondContact O-N 3.21Å; A276-G280 PolarHBondContact O-N 2.84Å |
| 277 | F | 95 | Very high | 95.8 | Very high | 28 Ų | 28 | 30.4 Ų | 30.4 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.8 | -43.4 | 172.8 | -69 | -84.1 | 0 | 0 | 0 | 110.9 | Q217 Y218 C221 S274 A279 G280 L281 F313 V319 | Q217-F277 HydrophobicContact CB-CD1 4.24Å; Q217-F277 HydrophobicContact CG-CD1 3.88Å; Q217-F277 HydrophobicContact CG-CE1 4.33Å; Y218-F277 AromaticContact CD1-CE1 3.91Å; Y218-F277 HydrophobicContact CD1-CE1 3.91Å; Y218-F277 HydrophobicContact CD1-CZ 4.49Å; Y218-F277 HydrophobicContact CE1-CE1 4.15Å; C221-F277 HydrophobicContact CB-CD2 4.2Å; C221-F277 HydrophobicContact CB-CE1 4.31Å; C221-F277 HydrophobicContact CB-CE2 3.78Å; C221-F277 HydrophobicContact CB-CZ 3.83Å; C221-F277 WeakPolarHBondContact SG-CE2 3.39Å; S274-F277 PolarHBondContact O-N 2.82Å; S274-F277 VanDerWaalsContact O-N 3.16Å; F277-A279 VanDerWaalsContact C-N 3.27Å; F277-A279 PolarHBondContact O-N 3.12Å; F277-G280 PolarHBondContact O-N 2.94Å; F277-L281 WeakPolarHBondContact O-CB 3.46Å; F277-L281 PolarHBondContact O-N 3.49Å; F277-F313 HydrophobicContact CE1-CB 4.36Å; F277-F313 AromaticContact CE1-CD1 3.87Å; F277-F313 HydrophobicContact CE1-CD1 3.87Å; F277-F313 HydrophobicContact CE2-CD1 4.48Å; F277-F313 AromaticContact CZ-CD1 3.85Å; F277-F313 HydrophobicContact CZ-CD1 3.85Å; F277-F313 HydrophobicContact CZ-CE1 4.36Å; F277-V319 HydrophobicContact CB-CG1 3.54Å; F277-V319 HydrophobicContact CB-CG2 4.38Å |
| 278 | V | 96.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 13% | 0.127 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 175.4 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | S274 G275 D282 A283 V319 H323 | S274-V278 PolarHBondContact O-N 3.23Å; S274-V278 VanDerWaalsContact O-N 3.09Å; G275-V278 PolarHBondContact O-N 3.28Å; V278-D282 PolarHBondContact O-N 3.4Å; V278-A283 HydrophobicContact CB-CB 4.46Å; V278-A283 HydrophobicContact CG1-CB 4.17Å; V278-A283 PolarHBondContact O-N 3.1Å; V278-V319 HydrophobicContact CB-CG1 4.37Å; V278-V319 HydrophobicContact CG2-CG1 3.71Å; V278-H323 HydrophobicContact CG2-CB 3.47Å; V278-H323 VanDerWaalsContact CG2-CB 3.47Å |
| 279 | A | 93.1 | Very high | 95.6 | Very high | 23 Ų | 23 | 31 Ų | 31 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -63 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R88 L220 G275 F277 L281 D282 | R88-A279 VanDerWaalsContact CZ-C 3.47Å; R88-A279 VanDerWaalsContact NH1-C 3.26Å; R88-A279 VanDerWaalsContact NH1-CA 3.31Å; R88-A279 PolarHBondContact NH1-O 3.42Å; R88-A279 PolarHBondContact NH2-O 3.25Å; L220-A279 HydrophobicContact CD2-CB 4.38Å; G275-A279 WeakPolarHBondContact O-CB 3.49Å; G275-A279 PolarHBondContact O-N 3.21Å; F277-A279 VanDerWaalsContact C-N 3.27Å; F277-A279 PolarHBondContact O-N 3.12Å; A279-L281 PolarHBondContact O-N 2.97Å; A279-D282 PolarHBondContact O-N 2.99Å |
| 280 | G | 89.9 | Confident | 95.5 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -25.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | A276 F277 | A276-G280 PolarHBondContact O-N 2.84Å; F277-G280 PolarHBondContact O-N 2.94Å |
| 281 | L | 90.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -2.7 | 175.5 | -67.6 | 176.7 | 0 | 0 | 0 | 114.1 | Q217 F277 A279 A283 P316 V319 | Q217-L281 HydrophobicContact CB-CD2 4.42Å; Q217-L281 HydrophobicContact CB-CG 4.28Å; Q217-L281 HydrophobicContact CG-CD2 3.99Å; Q217-L281 HydrophobicContact CG-CG 4.1Å; F277-L281 WeakPolarHBondContact O-CB 3.46Å; F277-L281 PolarHBondContact O-N 3.49Å; A279-L281 PolarHBondContact O-N 2.97Å; L281-A283 HydrophobicContact CB-CB 4.3Å; L281-A283 PolarHBondContact O-N 3.37Å; L281-P316 HydrophobicContact CB-CB 4.49Å; L281-P316 HydrophobicContact CB-CG 4.38Å; L281-V319 HydrophobicContact CD1-CB 4.08Å; L281-V319 HydrophobicContact CD1-CG1 4.27Å; L281-V319 HydrophobicContact CD1-CG2 3.72Å |
| 282 | D | 92.4 | Very high | 95.3 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 27.9 | -168.7 | -60.9 | -54.6 | 0 | 0 | 0 | 113.4 | R88 R214 V278 A279 G284 L285 | R88-D282 IonicContact CZ-OD1 3.33Å; R88-D282 IonicContact NH1-OD1 3.34Å; R88-D282 IonicContact NH2-OD1 3.91Å; R88-D282 PolarHBondContact NH2-OD1 2.95Å; R88-D282 IonicContact NH2-OD2 2.84Å; R214-D282 IonicContact NH1-OD2 3.03Å; R214-D282 PolarHBondContact NH1-OD2 3.32Å; V278-D282 PolarHBondContact O-N 3.4Å; A279-D282 PolarHBondContact O-N 2.99Å; D282-G284 PolarHBondContact O-N 3.01Å; D282-L285 PolarHBondContact O-N 3.37Å |
| 283 | A | 94.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -63.5 | -15.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V278 L281 L285 V286 P316 V319 Q320 | V278-A283 HydrophobicContact CB-CB 4.46Å; V278-A283 HydrophobicContact CG1-CB 4.17Å; V278-A283 PolarHBondContact O-N 3.1Å; L281-A283 HydrophobicContact CB-CB 4.3Å; L281-A283 PolarHBondContact O-N 3.37Å; A283-L285 PolarHBondContact O-N 2.9Å; A283-V286 HydrophobicContact CB-CG2 4.49Å; A283-V286 PolarHBondContact O-N 3.37Å; A283-P316 HydrophobicContact CB-CB 3.97Å; A283-P316 VanDerWaalsContact CB-O 3.31Å; A283-P316 WeakPolarHBondContact CB-O 3.48Å; A283-V319 HydrophobicContact CB-CG1 4.43Å; A283-Q320 HydrophobicContact CB-CB 4.17Å; A283-Q320 WeakPolarHBondContact O-CG 3.38Å; A283-Q320 PolarHBondContact O-NE2 3.44Å |
| 284 | G | 94.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -62.3 | -19.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D282 N288 | D282-G284 PolarHBondContact O-N 3.01Å; G284-N288 PolarHBondContact O-ND2 2.94Å |
| 285 | L | 95.2 | Very high | 95 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -100.5 | 2.3 | -177.8 | -63.3 | 171.6 | 0 | 0 | 0 | 113.9 | D282 A283 N288 V376 | D282-L285 PolarHBondContact O-N 3.37Å; A283-L285 PolarHBondContact O-N 2.9Å; L285-N288 PolarHBondContact O-OD1 2.89Å; L285-V376 HydrophobicContact CD2-CB 4.18Å; L285-V376 HydrophobicContact CD2-CG2 3.78Å; L285-V376 HydrophobicContact CG-CG2 4.11Å |
| 286 | V | 95.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -62.5 | -173.1 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | A283 P316 | A283-V286 HydrophobicContact CB-CG2 4.49Å; A283-V286 PolarHBondContact O-N 3.37Å; V286-P316 HydrophobicContact CG2-CB 3.65Å |
| 287 | Y | 96.3 | Very high | 94.9 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | trans | -116.5 | 115.3 | 173.3 | -67.2 | -88.4 | 0 | 0 | 0 | 110.4 | M293 A294 P299 D301 T317 Q320 R324 L372 | Y287-M293 HydrophobicContact CD1-CB 3.94Å; Y287-M293 HydrophobicContact CD2-CB 4.39Å; Y287-M293 HydrophobicContact CD2-CE 3.34Å; Y287-M293 HydrophobicContact CE2-CE 4.06Å; Y287-M293 HydrophobicContact CG-CB 3.86Å; Y287-M293 HydrophobicContact CG-CE 3.83Å; Y287-M293 HydrophobicContact CG-CG 4.44Å; Y287-A294 HydrophobicContact CD1-CB 3.88Å; Y287-A294 HydrophobicContact CE1-CB 4.01Å; Y287-P299 HydrophobicContact CD2-CG 4.47Å; Y287-P299 HydrophobicContact CE2-CB 4.11Å; Y287-P299 HydrophobicContact CE2-CG 4.01Å; Y287-D301 PolarHBondContact OH-OD1 2.9Å; Y287-T317 HydrophobicContact CD2-CG2 4.2Å; Y287-T317 HydrophobicContact CE2-CG2 3.51Å; Y287-Q320 VanDerWaalsContact N-OE1 3.15Å; Y287-Q320 PolarHBondContact O-NE2 3.06Å; Y287-R324 PolarHBondContact O-NH2 2.9Å; Y287-L372 WeakPolarHBondContact O-CD1 3.33Å | ||
| 288 | N | 97.3 | Very high | 95 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | trans | -105.6 | 30.7 | -175.5 | -62.5 | 89.2 | 0 | 0 | 0 | 114 | G284 L285 L372 L373 Y375 | G284-N288 PolarHBondContact O-ND2 2.94Å; L285-N288 PolarHBondContact O-OD1 2.89Å; N288-L372 PolarHBondContact ND2-O 2.97Å; N288-L373 VanDerWaalsContact O-CD2 3.3Å; N288-L373 WeakPolarHBondContact O-CD2 3.41Å; N288-Y375 HydrophobicContact CB-CD1 4Å; N288-Y375 HydrophobicContact CB-CE1 3.6Å | ||
| 289 | S | 96.9 | Very high | 95 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | trans | -113.4 | 158.7 | 172.4 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | K292 A294 R324 | S289-K292 CarbonylContact C-O 3.15Å; S289-K292 PolarHBondContact OG-O 3.31Å; S289-A294 WeakPolarHBondContact OG-CA 3.42Å; S289-A294 PolarHBondContact OG-N 2.82Å; S289-R324 PolarHBondContact O-NH1 3.47Å; S289-R324 PolarHBondContact O-NH2 3.45Å | ||
| 290 | F | 96.6 | Very high | 95 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -149 | 143 | 174.5 | -170.7 | -87.7 | 0 | 0 | 0 | 110 | K292 I369 L372 L373 | F290-K292 PolarHBondContact N-O 3.49Å; F290-I369 HydrophobicContact CB-CG2 4.41Å; F290-I369 HydrophobicContact CD1-CD1 3.87Å; F290-I369 HydrophobicContact CD1-CG1 4.16Å; F290-I369 HydrophobicContact CD1-CG2 4.45Å; F290-I369 HydrophobicContact CD2-CG1 4.14Å; F290-I369 HydrophobicContact CE1-CD1 3.61Å; F290-I369 HydrophobicContact CE1-CG1 4.2Å; F290-I369 HydrophobicContact CE2-CD1 4.35Å; F290-I369 HydrophobicContact CE2-CG1 4.18Å; F290-I369 HydrophobicContact CG-CD1 4.37Å; F290-I369 HydrophobicContact CG-CG1 4.14Å; F290-I369 HydrophobicContact CG-CG2 4.39Å; F290-I369 HydrophobicContact CZ-CD1 3.87Å; F290-I369 HydrophobicContact CZ-CG1 4.21Å; F290-L372 HydrophobicContact CB-CD2 4.31Å; F290-L372 HydrophobicContact CD2-CD2 4.4Å; F290-L373 HydrophobicContact CB-CD2 4.34Å |
| 291 | P | 95.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | S | Bend | cis | -80.6 | -19.1 | 3.4 | 33.1 | -36.6 | 0 | 0 | 0 | 114.3 | W297 | P291-W297 HydrophobicContact CB-CH2 4.17Å; P291-W297 HydrophobicContact CB-CZ3 3.89Å; P291-W297 HydrophobicContact CG-CH2 3.77Å; P291-W297 HydrophobicContact CG-CZ3 3.99Å |
| 292 | K | 96.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 61.3 Ų | 61.3 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -74.9 | 156.2 | 174.7 | -69.1 | -175.7 | 172.4 | -167.7 | 0 | 111.7 | S289 F290 A294 D295 K296 W297 | S289-K292 CarbonylContact C-O 3.15Å; S289-K292 PolarHBondContact OG-O 3.31Å; F290-K292 PolarHBondContact N-O 3.49Å; K292-A294 WeakPolarHBondContact CB-O 3.41Å; K292-D295 PolarHBondContact NZ-O 3.31Å; K292-K296 CarbonylContact C-O 3.56Å; K292-K296 WeakPolarHBondContact CA-O 3.4Å; K292-K296 WeakPolarHBondContact CB-O 3.23Å; K292-W297 HydrophobicContact CG-CD2 3.91Å; K292-W297 HydrophobicContact CG-CE3 4.17Å; K292-W297 HydrophobicContact CG-CG 4.38Å; K292-W297 HydrophobicContact CG-CH2 4.43Å; K292-W297 HydrophobicContact CG-CZ2 4.18Å; K292-W297 HydrophobicContact CG-CZ3 4.43Å |
| 293 | M | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -98.8 | 102.7 | 168.9 | -68.2 | -179.8 | 74 | 0 | 0 | 107.7 | Y287 D295 K296 P299 T317 Q320 F321 | Y287-M293 HydrophobicContact CD1-CB 3.94Å; Y287-M293 HydrophobicContact CD2-CB 4.39Å; Y287-M293 HydrophobicContact CD2-CE 3.34Å; Y287-M293 HydrophobicContact CE2-CE 4.06Å; Y287-M293 HydrophobicContact CG-CB 3.86Å; Y287-M293 HydrophobicContact CG-CE 3.83Å; Y287-M293 HydrophobicContact CG-CG 4.44Å; M293-D295 PolarHBondContact O-N 3.36Å; M293-K296 PolarHBondContact N-O 3.31Å; M293-K296 PolarHBondContact O-N 3.3Å; M293-K296 VanDerWaalsContact O-N 3.15Å; M293-K296 VanDerWaalsContact O-O 3.12Å; M293-P299 HydrophobicContact CB-CG 3.63Å; M293-P299 HydrophobicContact CE-CG 3.77Å; M293-P299 HydrophobicContact CG-CG 4.24Å; M293-P299 HydrophobicContact SD-CG 3.71Å; M293-T317 HydrophobicContact CE-CG2 4.18Å; M293-Q320 HydrophobicContact CE-CB 4.23Å; M293-Q320 HydrophobicContact CE-CG 4.49Å; M293-Q320 VanDerWaalsContact CE-OE1 3.31Å; M293-F321 HydrophobicContact CE-CB 4.34Å; M293-F321 HydrophobicContact SD-CB 3.89Å; M293-F321 HydrophobicContact SD-CD2 3.79Å; M293-F321 HydrophobicContact SD-CG 4.35Å |
| 294 | A | 94.3 | Very high | 95.5 | Very high | 53 Ų | 53 | 68 Ų | 68 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -124.3 | -158.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y287 S289 K292 | Y287-A294 HydrophobicContact CD1-CB 3.88Å; Y287-A294 HydrophobicContact CE1-CB 4.01Å; S289-A294 WeakPolarHBondContact OG-CA 3.42Å; S289-A294 PolarHBondContact OG-N 2.82Å; K292-A294 WeakPolarHBondContact CB-O 3.41Å |
| 295 | D | 94.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 71.7 Ų | 71.7 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8 | 179.1 | 60.8 | -46.5 | 0 | 0 | 0 | 113.5 | K292 M293 | K292-D295 PolarHBondContact NZ-O 3.31Å; M293-D295 PolarHBondContact O-N 3.36Å |
| 296 | K | 95.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 72.2 Ų | 72.2 | 30% | 0.3 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -112.7 | 152.7 | -170.2 | -62.1 | -176.6 | 179.2 | -172.6 | 0 | 113.8 | K292 M293 D300 | K292-K296 CarbonylContact C-O 3.56Å; K292-K296 WeakPolarHBondContact CA-O 3.4Å; K292-K296 WeakPolarHBondContact CB-O 3.23Å; M293-K296 PolarHBondContact N-O 3.31Å; M293-K296 PolarHBondContact O-N 3.3Å; M293-K296 VanDerWaalsContact O-N 3.15Å; M293-K296 VanDerWaalsContact O-O 3.12Å; K296-D300 IonicContact NZ-OD1 2.85Å; K296-D300 PolarHBondContact NZ-OD1 3.46Å; K296-D300 IonicContact NZ-OD2 2.56Å; K296-D300 PolarHBondContact NZ-OD2 3.27Å |
| 297 | W | 95.6 | Very high | 95 | Very high | 166 Ų | 166 | 73.1 Ų | 73.1 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -82.1 | -36.5 | 172.1 | -73.1 | 106.6 | 0 | 0 | 0 | 112.4 | P291 K292 | P291-W297 HydrophobicContact CB-CH2 4.17Å; P291-W297 HydrophobicContact CB-CZ3 3.89Å; P291-W297 HydrophobicContact CG-CH2 3.77Å; P291-W297 HydrophobicContact CG-CZ3 3.99Å; K292-W297 HydrophobicContact CG-CD2 3.91Å; K292-W297 HydrophobicContact CG-CE3 4.17Å; K292-W297 HydrophobicContact CG-CG 4.38Å; K292-W297 HydrophobicContact CG-CH2 4.43Å; K292-W297 HydrophobicContact CG-CZ2 4.18Å; K292-W297 HydrophobicContact CG-CZ3 4.43Å |
| 298 | I | 96.8 | Very high | 94.7 | Very high | 103 Ų | 103 | 74 Ų | 74 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -126.2 | 117.4 | 173.8 | -57.6 | 176.2 | 0 | 0 | 0 | 105.4 | I302 F321 | I298-I302 HydrophobicContact CG2-CD1 4.19Å; I298-I302 HydrophobicContact CG2-CG2 4.2Å; I298-F321 HydrophobicContact CG1-CE2 4.07Å; I298-F321 HydrophobicContact CG1-CZ 4.19Å |
| 299 | P | 95 | Very high | 94.5 | Very high | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.019 | 43% | 0.433 | C | S | . | . | trans | -63.7 | 149.8 | 174.9 | -23.5 | 34.8 | 0 | 0 | 0 | 112.7 | Y287 M293 D301 T317 | Y287-P299 HydrophobicContact CD2-CG 4.47Å; Y287-P299 HydrophobicContact CE2-CB 4.11Å; Y287-P299 HydrophobicContact CE2-CG 4.01Å; M293-P299 HydrophobicContact CB-CG 3.63Å; M293-P299 HydrophobicContact CE-CG 3.77Å; M293-P299 HydrophobicContact CG-CG 4.24Å; M293-P299 HydrophobicContact SD-CG 3.71Å; P299-D301 VanDerWaalsContact C-N 3.27Å; P299-D301 WeakPolarHBondContact CB-OD1 3.44Å; P299-D301 PolarHBondContact O-N 2.98Å; P299-T317 HydrophobicContact CB-CG2 3.63Å; P299-T317 HydrophobicContact CG-CG2 3.72Å | ||
| 300 | D | 93.9 | Very high | 94.2 | Very high | 125 Ų | 125 | 80.6 Ų | 80.6 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -71.2 | -26.4 | -178.8 | -59.5 | -10.9 | 0 | 0 | 0 | 112.3 | K296 I302 | K296-D300 IonicContact NZ-OD1 2.85Å; K296-D300 PolarHBondContact NZ-OD1 3.46Å; K296-D300 IonicContact NZ-OD2 2.56Å; K296-D300 PolarHBondContact NZ-OD2 3.27Å; D300-I302 VanDerWaalsContact C-N 3.27Å; D300-I302 PolarHBondContact O-N 3.5Å |
| 301 | D | 93.9 | Very high | 94.1 | Very high | 54 Ų | 54 | 77 Ų | 77 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -84.4 | 6.6 | -175.3 | 60.9 | -44.8 | 0 | 0 | 0 | 113.4 | Y287 P299 L303 A304 N315 T317 | Y287-D301 PolarHBondContact OH-OD1 2.9Å; P299-D301 VanDerWaalsContact C-N 3.27Å; P299-D301 WeakPolarHBondContact CB-OD1 3.44Å; P299-D301 PolarHBondContact O-N 2.98Å; D301-L303 PolarHBondContact O-N 3.47Å; D301-L303 VanDerWaalsContact O-N 3.11Å; D301-A304 HydrophobicContact CB-CB 4.38Å; D301-A304 VanDerWaalsContact O-CB 3.29Å; D301-A304 WeakPolarHBondContact O-CB 3.43Å; D301-A304 PolarHBondContact O-N 2.86Å; D301-A304 VanDerWaalsContact O-N 3.13Å; D301-N315 PolarHBondContact O-ND2 3.19Å; D301-T317 WeakPolarHBondContact OD1-CG2 3.48Å; D301-T317 VanDerWaalsContact OD2-CB 3.31Å; D301-T317 WeakPolarHBondContact OD2-CB 3.22Å; D301-T317 PolarHBondContact OD2-OG1 3.28Å |
| 302 | I | 95.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.159 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -64.4 | -16.3 | -178.8 | -157.5 | 171.6 | 0 | 0 | 0 | 114.2 | I298 D300 N311 T318 F321 | I298-I302 HydrophobicContact CG2-CD1 4.19Å; I298-I302 HydrophobicContact CG2-CG2 4.2Å; D300-I302 VanDerWaalsContact C-N 3.27Å; D300-I302 PolarHBondContact O-N 3.5Å; I302-N311 WeakPolarHBondContact O-CB 3.42Å; I302-N311 PolarHBondContact O-OD1 2.96Å; I302-T318 WeakPolarHBondContact CA-OG1 3.05Å; I302-T318 HydrophobicContact CD1-CG2 4.37Å; I302-T318 HydrophobicContact CG1-CG2 3.73Å; I302-T318 VanDerWaalsContact CG1-OG1 3.29Å; I302-T318 WeakPolarHBondContact CG1-OG1 3.47Å; I302-T318 PolarHBondContact O-OG1 2.93Å; I302-F321 HydrophobicContact CD1-CB 4.12Å; I302-F321 HydrophobicContact CD1-CD1 3.56Å; I302-F321 HydrophobicContact CD1-CD2 4.43Å; I302-F321 HydrophobicContact CD1-CE1 4.04Å; I302-F321 HydrophobicContact CD1-CG 3.78Å |
| 303 | L | 95.4 | Very high | 93.7 | Very high | 123 Ų | 123 | 76.6 Ų | 76.6 | 64% | 0.644 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -123.3 | 24.6 | 176.1 | -67.1 | 177.9 | 0 | 0 | 0 | 112.6 | D301 F305 N311 | D301-L303 PolarHBondContact O-N 3.47Å; D301-L303 VanDerWaalsContact O-N 3.11Å; L303-F305 PolarHBondContact O-N 3.4Å; L303-N311 VanDerWaalsContact C-OD1 3.29Å; L303-N311 WeakPolarHBondContact CA-OD1 3.37Å; L303-N311 HydrophobicContact CD2-CB 4.48Å |
| 304 | A | 93.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 79 Ų | 79 | 56% | 0.562 | 43% | 0.429 | S | S | * | . | trans | -61.9 | -25.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | D301 N311 | D301-A304 HydrophobicContact CB-CB 4.38Å; D301-A304 VanDerWaalsContact O-CB 3.29Å; D301-A304 WeakPolarHBondContact O-CB 3.43Å; D301-A304 PolarHBondContact O-N 2.86Å; D301-A304 VanDerWaalsContact O-N 3.13Å; A304-N311 PolarHBondContact N-OD1 3.13Å | ||
| 305 | F | 91.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 76.7 Ų | 76.7 | 40% | 0.395 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -96.6 | 146.9 | -175.1 | -68.7 | 18.6 | 0 | 0 | 0 | 111.5 | L303 K310 N311 E314 N315 | L303-F305 PolarHBondContact O-N 3.4Å; F305-K310 HydrophobicContact CB-CB 4.19Å; F305-N311 WeakPolarHBondContact CB-OD1 3.46Å; F305-N311 PolarHBondContact N-OD1 3.35Å; F305-N311 PolarHBondContact O-ND2 3.11Å; F305-E314 HydrophobicContact CD2-CB 4.22Å; F305-E314 HydrophobicContact CE2-CB 4.26Å; F305-N315 HydrophobicContact CD2-CB 4.31Å; F305-N315 HydrophobicContact CE2-CB 4.47Å; F305-N315 HydrophobicContact CG-CB 4.33Å |
| 306 | S | 89.6 | Confident | 93.5 | Very high | 106 Ų | 106 | 72.8 Ų | 72.8 | 74% | 0.741 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -120.2 | 136.5 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 307 | P | 93.2 | Very high | 93.6 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | S | Bend | cis | -69.7 | 160.6 | -2.8 | 30.2 | -36.8 | 0 | 0 | 0 | 112.6 | L309 K310 | P307-L309 PolarHBondContact O-N 3.39Å; P307-K310 HydrophobicContact CG-CG 4.3Å; P307-K310 WeakPolarHBondContact O-CB 3.43Å; P307-K310 PolarHBondContact O-N 3.43Å |
| 308 | A | 90.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -33.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K310 N311 | A308-K310 PolarHBondContact O-N 2.91Å; A308-N311 WeakPolarHBondContact O-CB 3.39Å; A308-N311 PolarHBondContact O-N 3.47Å; A308-N311 VanDerWaalsContact O-N 3.1Å; A308-N311 PolarHBondContact O-ND2 3.34Å |
| 309 | L | 91.7 | Very high | 93.7 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 60% | 0.602 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.4 | -30.4 | 177.9 | -173.3 | 62.3 | 0 | 0 | 0 | 113.4 | P307 N311 I312 F313 | P307-L309 PolarHBondContact O-N 3.39Å; L309-N311 PolarHBondContact O-N 3.44Å; L309-I312 HydrophobicContact CD1-CD1 4.11Å; L309-I312 PolarHBondContact O-N 3.1Å; L309-F313 HydrophobicContact CD1-CE2 4.11Å; L309-F313 HydrophobicContact CG-CE2 4.47Å |
| 310 | K | 90.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 57.6 Ų | 57.6 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -32.5 | 176.7 | -74.9 | -170.1 | 170.9 | -172.3 | 0 | 112.1 | F305 P307 A308 I312 F313 E314 | F305-K310 HydrophobicContact CB-CB 4.19Å; P307-K310 HydrophobicContact CG-CG 4.3Å; P307-K310 WeakPolarHBondContact O-CB 3.43Å; P307-K310 PolarHBondContact O-N 3.43Å; A308-K310 PolarHBondContact O-N 2.91Å; K310-I312 PolarHBondContact O-N 3.4Å; K310-F313 PolarHBondContact O-N 2.98Å; K310-F313 VanDerWaalsContact O-N 3.14Å; K310-E314 WeakPolarHBondContact CD-OE2 3.49Å; K310-E314 WeakPolarHBondContact O-CA 3.49Å; K310-E314 WeakPolarHBondContact O-CB 3.38Å; K310-E314 PolarHBondContact O-N 3.06Å |
| 311 | N | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -37.7 | -178.5 | -64.8 | -82.3 | 0 | 0 | 0 | 112.1 | I302 L303 A304 F305 A308 L309 F313 N315 T318 | I302-N311 WeakPolarHBondContact O-CB 3.42Å; I302-N311 PolarHBondContact O-OD1 2.96Å; L303-N311 VanDerWaalsContact C-OD1 3.29Å; L303-N311 WeakPolarHBondContact CA-OD1 3.37Å; L303-N311 HydrophobicContact CD2-CB 4.48Å; A304-N311 PolarHBondContact N-OD1 3.13Å; F305-N311 WeakPolarHBondContact CB-OD1 3.46Å; F305-N311 PolarHBondContact N-OD1 3.35Å; F305-N311 PolarHBondContact O-ND2 3.11Å; A308-N311 WeakPolarHBondContact O-CB 3.39Å; A308-N311 PolarHBondContact O-N 3.47Å; A308-N311 VanDerWaalsContact O-N 3.1Å; A308-N311 PolarHBondContact O-ND2 3.34Å; L309-N311 PolarHBondContact O-N 3.44Å; N311-F313 PolarHBondContact O-N 3.19Å; N311-F313 VanDerWaalsContact O-N 3.14Å; N311-N315 HydrophobicContact CB-CB 3.89Å; N311-N315 WeakPolarHBondContact O-CB 3.38Å; N311-N315 PolarHBondContact O-N 2.74Å; N311-N315 PolarHBondContact OD1-ND2 3.46Å; N311-T318 HydrophobicContact CB-CG2 4.14Å; N311-T318 WeakPolarHBondContact O-CB 3.35Å; N311-T318 WeakPolarHBondContact O-CG2 3.29Å |
| 312 | I | 92.9 | Very high | 94.2 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -26.5 | -177.5 | -55.7 | -176.6 | 0 | 0 | 0 | 112.1 | L309 K310 V319 | L309-I312 HydrophobicContact CD1-CD1 4.11Å; L309-I312 PolarHBondContact O-N 3.1Å; K310-I312 PolarHBondContact O-N 3.4Å; I312-V319 VanDerWaalsContact O-CG2 3.28Å; I312-V319 WeakPolarHBondContact O-CG2 3.47Å |
| 313 | F | 92.1 | Very high | 94.3 | Very high | 73 Ų | 73 | 53.4 Ų | 53.4 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -122.9 | -18 | -172 | -57.6 | -69.9 | 0 | 0 | 0 | 115.1 | Y218 F277 L309 K310 N311 | Y218-F313 HydrophobicContact CE1-CB 3.66Å; Y218-F313 HydrophobicContact CE1-CD1 4.48Å; Y218-F313 HydrophobicContact CE1-CG 4.09Å; Y218-F313 WeakPolarHBondContact OH-CB 3.37Å; F277-F313 HydrophobicContact CE1-CB 4.36Å; F277-F313 AromaticContact CE1-CD1 3.87Å; F277-F313 HydrophobicContact CE1-CD1 3.87Å; F277-F313 HydrophobicContact CE2-CD1 4.48Å; F277-F313 AromaticContact CZ-CD1 3.85Å; F277-F313 HydrophobicContact CZ-CD1 3.85Å; F277-F313 HydrophobicContact CZ-CE1 4.36Å; L309-F313 HydrophobicContact CD1-CE2 4.11Å; L309-F313 HydrophobicContact CG-CE2 4.47Å; K310-F313 PolarHBondContact O-N 2.98Å; K310-F313 VanDerWaalsContact O-N 3.14Å; N311-F313 PolarHBondContact O-N 3.19Å; N311-F313 VanDerWaalsContact O-N 3.14Å |
| 314 | E | 91.8 | Very high | 94.5 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -127.1 | -22.3 | -170.5 | -58 | 176.6 | -174.4 | 0 | 0 | 112.7 | Y218 F305 K310 P316 | Y218-E314 HydrophobicContact CE2-CG 4.2Å; Y218-E314 WeakPolarHBondContact OH-CG 3.37Å; Y218-E314 PolarHBondContact OH-OE1 3.4Å; F305-E314 HydrophobicContact CD2-CB 4.22Å; F305-E314 HydrophobicContact CE2-CB 4.26Å; K310-E314 WeakPolarHBondContact CD-OE2 3.49Å; K310-E314 WeakPolarHBondContact O-CA 3.49Å; K310-E314 WeakPolarHBondContact O-CB 3.38Å; K310-E314 PolarHBondContact O-N 3.06Å; E314-P316 VanDerWaalsContact O-CD 3.27Å; E314-P316 WeakPolarHBondContact O-CD 3.49Å |
| 315 | N | 94.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -82.8 | 114.2 | 175.3 | -179.1 | -21.9 | 0 | 0 | 0 | 109.3 | D301 F305 N311 T317 T318 V319 | D301-N315 PolarHBondContact O-ND2 3.19Å; F305-N315 HydrophobicContact CD2-CB 4.31Å; F305-N315 HydrophobicContact CE2-CB 4.47Å; F305-N315 HydrophobicContact CG-CB 4.33Å; N311-N315 HydrophobicContact CB-CB 3.89Å; N311-N315 WeakPolarHBondContact O-CB 3.38Å; N311-N315 PolarHBondContact O-N 2.74Å; N311-N315 PolarHBondContact OD1-ND2 3.46Å; N315-T317 VanDerWaalsContact C-N 3.26Å; N315-T317 PolarHBondContact O-N 2.96Å; N315-T317 WeakPolarHBondContact OD1-CB 3.36Å; N315-T317 PolarHBondContact OD1-N 2.93Å; N315-T318 PolarHBondContact ND2-OG1 2.91Å; N315-T318 PolarHBondContact O-N 2.87Å; N315-V319 WeakPolarHBondContact O-CG2 3.4Å; N315-V319 PolarHBondContact O-N 3.47Å | ||
| 316 | P | 95.4 | Very high | 95 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 23% | 0.234 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.3 | -38.2 | -177.7 | -25.9 | 37 | 0 | 0 | 0 | 112.9 | L281 A283 V286 E314 Q320 | L281-P316 HydrophobicContact CB-CB 4.49Å; L281-P316 HydrophobicContact CB-CG 4.38Å; A283-P316 HydrophobicContact CB-CB 3.97Å; A283-P316 VanDerWaalsContact CB-O 3.31Å; A283-P316 WeakPolarHBondContact CB-O 3.48Å; V286-P316 HydrophobicContact CG2-CB 3.65Å; E314-P316 VanDerWaalsContact O-CD 3.27Å; E314-P316 WeakPolarHBondContact O-CD 3.49Å; P316-Q320 VanDerWaalsContact O-CB 3.3Å; P316-Q320 WeakPolarHBondContact O-CB 3.42Å; P316-Q320 PolarHBondContact O-N 2.88Å |
| 317 | T | 96.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 178.8 | -63 | 0 | 0 | 0 | 0 | 111.8 | Y287 M293 P299 D301 N315 Q320 F321 | Y287-T317 HydrophobicContact CD2-CG2 4.2Å; Y287-T317 HydrophobicContact CE2-CG2 3.51Å; M293-T317 HydrophobicContact CE-CG2 4.18Å; P299-T317 HydrophobicContact CB-CG2 3.63Å; P299-T317 HydrophobicContact CG-CG2 3.72Å; D301-T317 WeakPolarHBondContact OD1-CG2 3.48Å; D301-T317 VanDerWaalsContact OD2-CB 3.31Å; D301-T317 WeakPolarHBondContact OD2-CB 3.22Å; D301-T317 PolarHBondContact OD2-OG1 3.28Å; N315-T317 VanDerWaalsContact C-N 3.26Å; N315-T317 PolarHBondContact O-N 2.96Å; N315-T317 WeakPolarHBondContact OD1-CB 3.36Å; N315-T317 PolarHBondContact OD1-N 2.93Å; T317-Q320 PolarHBondContact O-N 2.96Å; T317-F321 WeakPolarHBondContact O-CB 3.39Å; T317-F321 PolarHBondContact O-N 3.16Å |
| 318 | T | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | -179.4 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | I302 N311 N315 Q320 F321 D322 | I302-T318 WeakPolarHBondContact CA-OG1 3.05Å; I302-T318 HydrophobicContact CD1-CG2 4.37Å; I302-T318 HydrophobicContact CG1-CG2 3.73Å; I302-T318 VanDerWaalsContact CG1-OG1 3.29Å; I302-T318 WeakPolarHBondContact CG1-OG1 3.47Å; I302-T318 PolarHBondContact O-OG1 2.93Å; N311-T318 HydrophobicContact CB-CG2 4.14Å; N311-T318 WeakPolarHBondContact O-CB 3.35Å; N311-T318 WeakPolarHBondContact O-CG2 3.29Å; N315-T318 PolarHBondContact ND2-OG1 2.91Å; N315-T318 PolarHBondContact O-N 2.87Å; T318-Q320 VanDerWaalsContact C-N 3.3Å; T318-Q320 PolarHBondContact O-N 3.11Å; T318-F321 WeakPolarHBondContact O-CB 3.47Å; T318-F321 PolarHBondContact O-N 3.34Å; T318-D322 WeakPolarHBondContact O-CB 3.33Å; T318-D322 VanDerWaalsContact O-CG 3.32Å; T318-D322 PolarHBondContact O-N 2.84Å |
| 319 | V | 97.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 175.9 | 166.1 | 0 | 0 | 0 | 0 | 111.3 | F277 V278 L281 A283 I312 N315 H323 | F277-V319 HydrophobicContact CB-CG1 3.54Å; F277-V319 HydrophobicContact CB-CG2 4.38Å; V278-V319 HydrophobicContact CB-CG1 4.37Å; V278-V319 HydrophobicContact CG2-CG1 3.71Å; L281-V319 HydrophobicContact CD1-CB 4.08Å; L281-V319 HydrophobicContact CD1-CG1 4.27Å; L281-V319 HydrophobicContact CD1-CG2 3.72Å; A283-V319 HydrophobicContact CB-CG1 4.43Å; I312-V319 VanDerWaalsContact O-CG2 3.28Å; I312-V319 WeakPolarHBondContact O-CG2 3.47Å; N315-V319 WeakPolarHBondContact O-CG2 3.4Å; N315-V319 PolarHBondContact O-N 3.47Å; V319-H323 WeakPolarHBondContact O-CB 3.29Å; V319-H323 PolarHBondContact O-N 3.42Å |
| 320 | Q | 97.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 175.4 | -158.6 | -171 | 30.5 | 0 | 0 | 111.6 | A283 Y287 M293 P316 T317 T318 H323 R324 | A283-Q320 HydrophobicContact CB-CB 4.17Å; A283-Q320 WeakPolarHBondContact O-CG 3.38Å; A283-Q320 PolarHBondContact O-NE2 3.44Å; Y287-Q320 VanDerWaalsContact N-OE1 3.15Å; Y287-Q320 PolarHBondContact O-NE2 3.06Å; M293-Q320 HydrophobicContact CE-CB 4.23Å; M293-Q320 HydrophobicContact CE-CG 4.49Å; M293-Q320 VanDerWaalsContact CE-OE1 3.31Å; P316-Q320 VanDerWaalsContact O-CB 3.3Å; P316-Q320 WeakPolarHBondContact O-CB 3.42Å; P316-Q320 PolarHBondContact O-N 2.88Å; T317-Q320 PolarHBondContact O-N 2.96Å; T318-Q320 VanDerWaalsContact C-N 3.3Å; T318-Q320 PolarHBondContact O-N 3.11Å; Q320-H323 PolarHBondContact O-N 3.32Å; Q320-R324 WeakPolarHBondContact O-CG 3.28Å; Q320-R324 PolarHBondContact O-N 3.19Å; Q320-R324 VanDerWaalsContact O-N 3.13Å |
| 321 | F | 97.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 34 Ų | 34 | 17% | 0.167 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -51.5 | 177 | 176.4 | -94.4 | 0 | 0 | 0 | 111.4 | M293 I298 I302 T317 T318 H323 R324 I325 | M293-F321 HydrophobicContact CE-CB 4.34Å; M293-F321 HydrophobicContact SD-CB 3.89Å; M293-F321 HydrophobicContact SD-CD2 3.79Å; M293-F321 HydrophobicContact SD-CG 4.35Å; I298-F321 HydrophobicContact CG1-CE2 4.07Å; I298-F321 HydrophobicContact CG1-CZ 4.19Å; I302-F321 HydrophobicContact CD1-CB 4.12Å; I302-F321 HydrophobicContact CD1-CD1 3.56Å; I302-F321 HydrophobicContact CD1-CD2 4.43Å; I302-F321 HydrophobicContact CD1-CE1 4.04Å; I302-F321 HydrophobicContact CD1-CG 3.78Å; T317-F321 WeakPolarHBondContact O-CB 3.39Å; T317-F321 PolarHBondContact O-N 3.16Å; T318-F321 WeakPolarHBondContact O-CB 3.47Å; T318-F321 PolarHBondContact O-N 3.34Å; F321-H323 VanDerWaalsContact C-N 3.3Å; F321-H323 PolarHBondContact O-N 3.38Å; F321-R324 WeakPolarHBondContact O-CB 3.45Å; F321-R324 PolarHBondContact O-N 3.33Å; F321-I325 HydrophobicContact CD1-CG1 4.14Å; F321-I325 HydrophobicContact CE1-CD1 4.46Å; F321-I325 HydrophobicContact CE1-CG1 3.73Å; F321-I325 HydrophobicContact CE2-CD1 4.23Å; F321-I325 HydrophobicContact CE2-CG1 4.21Å; F321-I325 HydrophobicContact CZ-CD1 3.99Å; F321-I325 HydrophobicContact CZ-CG1 3.77Å; F321-I325 WeakPolarHBondContact O-CG1 3.42Å; F321-I325 PolarHBondContact O-N 3.42Å |
| 322 | D | 97.7 | Very high | 97 | Very high | 51 Ų | 51 | 38.4 Ų | 38.4 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.5 | -44 | 179.9 | -74.6 | -13.8 | 0 | 0 | 0 | 111.3 | T318 R324 I325 L326 | T318-D322 WeakPolarHBondContact O-CB 3.33Å; T318-D322 VanDerWaalsContact O-CG 3.32Å; T318-D322 PolarHBondContact O-N 2.84Å; D322-R324 PolarHBondContact O-N 3.23Å; D322-I325 PolarHBondContact O-N 3.31Å; D322-L326 WeakPolarHBondContact O-CB 3.37Å; D322-L326 VanDerWaalsContact O-CG 3.27Å; D322-L326 WeakPolarHBondContact O-CG 3.23Å; D322-L326 PolarHBondContact O-N 3.43Å |
| 323 | H | 98.2 | Very high | 97.3 | Very high | 34 Ų | 34 | 35.7 Ų | 35.7 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.8 | -172.3 | 64.1 | 0 | 0 | 0 | 112.7 | T271 S274 G275 V278 V319 Q320 F321 L326 G327 | T271-H323 PolarHBondContact O-CE1 3.42Å; T271-H323 PolarHBondContact O-ND1 3.22Å; S274-H323 PolarHBondContact OG-ND1 3.18Å; G275-H323 PolarHBondContact N-ND1 2.8Å; V278-H323 HydrophobicContact CG2-CB 3.47Å; V278-H323 VanDerWaalsContact CG2-CB 3.47Å; V319-H323 WeakPolarHBondContact O-CB 3.29Å; V319-H323 PolarHBondContact O-N 3.42Å; Q320-H323 PolarHBondContact O-N 3.32Å; F321-H323 VanDerWaalsContact C-N 3.3Å; F321-H323 PolarHBondContact O-N 3.38Å; H323-L326 PolarHBondContact O-N 3.1Å; H323-G327 PolarHBondContact O-N 2.95Å |
| 324 | R | 97.9 | Very high | 97.6 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.3 | -68.4 | 170 | -171.6 | -134.3 | 4.9 | 111.2 | Y287 S289 Q320 F321 D322 G327 I328 | Y287-R324 PolarHBondContact O-NH2 2.9Å; S289-R324 PolarHBondContact O-NH1 3.47Å; S289-R324 PolarHBondContact O-NH2 3.45Å; Q320-R324 WeakPolarHBondContact O-CG 3.28Å; Q320-R324 PolarHBondContact O-N 3.19Å; Q320-R324 VanDerWaalsContact O-N 3.13Å; F321-R324 WeakPolarHBondContact O-CB 3.45Å; F321-R324 PolarHBondContact O-N 3.33Å; D322-R324 PolarHBondContact O-N 3.23Å; R324-G327 PolarHBondContact O-N 2.84Å; R324-I328 WeakPolarHBondContact O-CG1 3.49Å; R324-I328 PolarHBondContact O-N 2.89Å |
| 325 | I | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 31.2 Ų | 31.2 | 46% | 0.456 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.9 | -62.5 | -56.6 | 0 | 0 | 0 | 110.8 | F321 D322 G327 I328 G329 | F321-I325 HydrophobicContact CD1-CG1 4.14Å; F321-I325 HydrophobicContact CE1-CD1 4.46Å; F321-I325 HydrophobicContact CE1-CG1 3.73Å; F321-I325 HydrophobicContact CE2-CD1 4.23Å; F321-I325 HydrophobicContact CE2-CG1 4.21Å; F321-I325 HydrophobicContact CZ-CD1 3.99Å; F321-I325 HydrophobicContact CZ-CG1 3.77Å; F321-I325 WeakPolarHBondContact O-CG1 3.42Å; F321-I325 PolarHBondContact O-N 3.42Å; D322-I325 PolarHBondContact O-N 3.31Å; I325-G327 VanDerWaalsContact C-N 3.33Å; I325-G327 PolarHBondContact O-N 2.97Å; I325-I328 PolarHBondContact O-N 3.38Å; I325-G329 PolarHBondContact O-N 3.41Å |
| 326 | L | 98.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 19% | 0.194 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 174.4 | -73.9 | 171.4 | 0 | 0 | 0 | 112.2 | L267 L270 T271 S274 D322 H323 G329 S330 | L267-L326 HydrophobicContact CD1-CD2 3.85Å; L270-L326 HydrophobicContact CD2-CD2 4.03Å; L270-L326 HydrophobicContact CG-CD1 4.42Å; L270-L326 HydrophobicContact CG-CD2 4.34Å; T271-L326 HydrophobicContact CG2-CB 4.08Å; T271-L326 PolarHBondContact OG1-O 3.5Å; S274-L326 WeakPolarHBondContact OG-CD1 3.15Å; D322-L326 WeakPolarHBondContact O-CB 3.37Å; D322-L326 VanDerWaalsContact O-CG 3.27Å; D322-L326 WeakPolarHBondContact O-CG 3.23Å; D322-L326 PolarHBondContact O-N 3.43Å; H323-L326 PolarHBondContact O-N 3.1Å; L326-G329 PolarHBondContact O-N 3.2Å; L326-S330 VanDerWaalsContact O-CB 3.28Å; L326-S330 WeakPolarHBondContact O-CB 3.28Å; L326-S330 PolarHBondContact O-N 3.06Å; L326-S330 PolarHBondContact O-OG 3.23Å; L326-S330 VanDerWaalsContact O-OG 3.09Å |
| 327 | G | 98.4 | Very high | 98.3 | Very high | 20 Ų | 20 | 30.6 Ų | 30.6 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | H323 R324 I325 S330 L331 | H323-G327 PolarHBondContact O-N 2.95Å; R324-G327 PolarHBondContact O-N 2.84Å; I325-G327 VanDerWaalsContact C-N 3.33Å; I325-G327 PolarHBondContact O-N 2.97Å; G327-S330 PolarHBondContact O-N 3.12Å; G327-L331 PolarHBondContact O-N 2.81Å |
| 328 | I | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 43% | 0.431 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -44 | 176.3 | -66 | 163.4 | 0 | 0 | 0 | 110.6 | R324 I325 L331 T332 | R324-I328 WeakPolarHBondContact O-CG1 3.49Å; R324-I328 PolarHBondContact O-N 2.89Å; I325-I328 PolarHBondContact O-N 3.38Å; I328-L331 PolarHBondContact O-N 3.26Å; I328-T332 WeakPolarHBondContact O-CB 3.47Å; I328-T332 PolarHBondContact O-N 3.29Å; I328-T332 PolarHBondContact O-OG1 2.85Å |
| 329 | G | 98.7 | Very high | 98.4 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I325 L326 T332 A333 | I325-G329 PolarHBondContact O-N 3.41Å; L326-G329 PolarHBondContact O-N 3.2Å; G329-T332 PolarHBondContact O-N 3.17Å; G329-A333 WeakPolarHBondContact O-CB 3.32Å; G329-A333 PolarHBondContact O-N 3.37Å |
| 330 | S | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 174.7 | -77.3 | 0 | 0 | 0 | 0 | 111.9 | T271 L326 G327 T332 A333 I334 | T271-S330 PolarHBondContact OG1-OG 3.36Å; L326-S330 VanDerWaalsContact O-CB 3.28Å; L326-S330 WeakPolarHBondContact O-CB 3.28Å; L326-S330 PolarHBondContact O-N 3.06Å; L326-S330 PolarHBondContact O-OG 3.23Å; L326-S330 VanDerWaalsContact O-OG 3.09Å; G327-S330 PolarHBondContact O-N 3.12Å; S330-T332 VanDerWaalsContact C-N 3.29Å; S330-T332 PolarHBondContact O-N 3.38Å; S330-A333 PolarHBondContact O-N 3.37Å; S330-I334 WeakPolarHBondContact O-CB 3.2Å; S330-I334 WeakPolarHBondContact O-CD1 3.36Å; S330-I334 WeakPolarHBondContact O-CG1 3.19Å; S330-I334 PolarHBondContact O-N 3.25Å |
| 331 | L | 98.8 | Very high | 98.3 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 17% | 0.173 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 177.7 | -179.6 | 64.7 | 0 | 0 | 0 | 111.6 | G327 I328 I334 T335 A361 Y362 V365 | G327-L331 PolarHBondContact O-N 2.81Å; I328-L331 PolarHBondContact O-N 3.26Å; L331-I334 PolarHBondContact O-N 3.3Å; L331-T335 VanDerWaalsContact O-CB 3.3Å; L331-T335 WeakPolarHBondContact O-CB 3.07Å; L331-T335 PolarHBondContact O-N 2.73Å; L331-T335 PolarHBondContact O-OG1 3.36Å; L331-A361 HydrophobicContact CD1-CB 3.87Å; L331-Y362 HydrophobicContact CD1-CD1 4.05Å; L331-Y362 HydrophobicContact CD1-CD2 4.06Å; L331-Y362 HydrophobicContact CD1-CE1 4.01Å; L331-Y362 HydrophobicContact CD1-CE2 3.98Å; L331-Y362 HydrophobicContact CD1-CG 4.06Å; L331-Y362 HydrophobicContact CD2-CD1 4.48Å; L331-Y362 HydrophobicContact CD2-CE1 4.29Å; L331-V365 HydrophobicContact CB-CG2 4.11Å; L331-V365 HydrophobicContact CD2-CB 4.5Å; L331-V365 HydrophobicContact CD2-CG1 4.5Å; L331-V365 HydrophobicContact CD2-CG2 4.05Å; L331-V365 HydrophobicContact CG-CG2 4.44Å |
| 332 | T | 98.8 | Very high | 98.2 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 57% | 0.571 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63.3 | -48.1 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | I328 G329 S330 I334 T335 G336 | I328-T332 WeakPolarHBondContact O-CB 3.47Å; I328-T332 PolarHBondContact O-N 3.29Å; I328-T332 PolarHBondContact O-OG1 2.85Å; G329-T332 PolarHBondContact O-N 3.17Å; S330-T332 VanDerWaalsContact C-N 3.29Å; S330-T332 PolarHBondContact O-N 3.38Å; T332-I334 PolarHBondContact O-N 2.92Å; T332-T335 PolarHBondContact O-N 2.78Å; T332-G336 PolarHBondContact O-N 3.14Å |
| 333 | A | 98.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F260 T264 L267 G329 S330 G336 L337 | F260-A333 HydrophobicContact CE2-CB 4.41Å; F260-A333 VanDerWaalsContact CZ-O 3.29Å; F260-A333 WeakPolarHBondContact CZ-O 3.5Å; T264-A333 HydrophobicContact CG2-CB 4.19Å; L267-A333 HydrophobicContact CD2-CB 4.02Å; G329-A333 WeakPolarHBondContact O-CB 3.32Å; G329-A333 PolarHBondContact O-N 3.37Å; S330-A333 PolarHBondContact O-N 3.37Å; A333-G336 PolarHBondContact O-N 2.88Å; A333-L337 WeakPolarHBondContact O-CB 3.45Å; A333-L337 PolarHBondContact O-N 3.12Å |
| 334 | I | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.6 | -67 | 163.8 | 0 | 0 | 0 | 110.8 | T264 I268 S330 L331 T332 L337 Y338 L357 A358 A361 L391 | T264-I334 HydrophobicContact CG2-CB 4.42Å; T264-I334 HydrophobicContact CG2-CG1 3.48Å; T264-I334 VanDerWaalsContact CG2-CG1 3.48Å; I268-I334 HydrophobicContact CD1-CD1 3.71Å; I268-I334 HydrophobicContact CD1-CG1 4.02Å; I268-I334 HydrophobicContact CG1-CD1 3.92Å; I268-I334 HydrophobicContact CG1-CG1 4.45Å; S330-I334 WeakPolarHBondContact O-CB 3.2Å; S330-I334 WeakPolarHBondContact O-CD1 3.36Å; S330-I334 WeakPolarHBondContact O-CG1 3.19Å; S330-I334 PolarHBondContact O-N 3.25Å; L331-I334 PolarHBondContact O-N 3.3Å; T332-I334 PolarHBondContact O-N 2.92Å; I334-L337 WeakPolarHBondContact O-CB 3.43Å; I334-L337 PolarHBondContact O-N 3.29Å; I334-Y338 WeakPolarHBondContact O-CB 3.28Å; I334-Y338 PolarHBondContact O-N 2.85Å; I334-L357 HydrophobicContact CD1-CD1 4.43Å; I334-L357 HydrophobicContact CG2-CD2 4.44Å; I334-L357 HydrophobicContact CG2-CG 3.93Å; I334-A358 HydrophobicContact CG2-CB 4.24Å; I334-A361 HydrophobicContact CB-CB 4.26Å; I334-A361 HydrophobicContact CD1-CB 3.58Å; I334-A361 HydrophobicContact CG2-CB 3.89Å; I334-L391 HydrophobicContact CD1-CD1 4.23Å; I334-L391 HydrophobicContact CD1-CD2 4.3Å |
| 335 | T | 98.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | L331 T332 L337 Y338 L339 Y362 | L331-T335 VanDerWaalsContact O-CB 3.3Å; L331-T335 WeakPolarHBondContact O-CB 3.07Å; L331-T335 PolarHBondContact O-N 2.73Å; L331-T335 PolarHBondContact O-OG1 3.36Å; T332-T335 PolarHBondContact O-N 2.78Å; T335-L337 PolarHBondContact O-N 2.99Å; T335-Y338 PolarHBondContact O-N 2.92Å; T335-L339 HydrophobicContact CG2-CD1 4.11Å; T335-L339 HydrophobicContact CG2-CG 4.43Å; T335-L339 WeakPolarHBondContact O-CB 3.43Å; T335-L339 VanDerWaalsContact O-CG 3.31Å; T335-L339 WeakPolarHBondContact O-CG 3.42Å; T335-L339 PolarHBondContact O-N 3.49Å; T335-Y362 PolarHBondContact OG1-OH 2.96Å |
| 336 | G | 98.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 59 Ų | 59 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F260 T332 A333 L339 F340 | F260-G336 VanDerWaalsContact CE1-C 3.47Å; T332-G336 PolarHBondContact O-N 3.14Å; A333-G336 PolarHBondContact O-N 2.88Å; G336-L339 PolarHBondContact O-N 3.39Å; G336-F340 WeakPolarHBondContact O-CB 3.21Å; G336-F340 PolarHBondContact O-N 2.95Å |
| 337 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.5 | 178.2 | 65.3 | 0 | 0 | 0 | 111.3 | L257 F260 A261 T264 A333 I334 T335 F340 S341 L357 | L257-L337 HydrophobicContact CD1-CD1 3.61Å; F260-L337 HydrophobicContact CB-CD1 4.28Å; F260-L337 HydrophobicContact CD1-CB 4.25Å; F260-L337 HydrophobicContact CD1-CD1 3.87Å; F260-L337 VanDerWaalsContact CE1-CA 3.42Å; F260-L337 HydrophobicContact CE1-CB 3.97Å; F260-L337 HydrophobicContact CE1-CD1 4.43Å; F260-L337 VanDerWaalsContact CE1-N 3.29Å; F260-L337 HydrophobicContact CG-CD1 4.05Å; F260-L337 HydrophobicContact CZ-CB 4.11Å; A261-L337 HydrophobicContact CB-CD1 4.11Å; A261-L337 HydrophobicContact CB-CD2 4.14Å; T264-L337 HydrophobicContact CG2-CD2 4.35Å; A333-L337 WeakPolarHBondContact O-CB 3.45Å; A333-L337 PolarHBondContact O-N 3.12Å; I334-L337 WeakPolarHBondContact O-CB 3.43Å; I334-L337 PolarHBondContact O-N 3.29Å; T335-L337 PolarHBondContact O-N 2.99Å; L337-F340 PolarHBondContact O-N 3.31Å; L337-S341 WeakPolarHBondContact O-CB 3.23Å; L337-S341 PolarHBondContact O-N 3.47Å; L337-L357 HydrophobicContact CD2-CD2 4.18Å |
| 338 | Y | 98.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.8 | -53.4 | 175.6 | 174.8 | -97.5 | 0 | 0 | 0 | 111.2 | I334 T335 F340 S341 R342 I354 A358 | I334-Y338 WeakPolarHBondContact O-CB 3.28Å; I334-Y338 PolarHBondContact O-N 2.85Å; T335-Y338 PolarHBondContact O-N 2.92Å; Y338-F340 PolarHBondContact O-N 3.07Å; Y338-S341 PolarHBondContact O-N 3.1Å; Y338-S341 PolarHBondContact O-OG 3.3Å; Y338-R342 HydrophobicContact CE1-CG 4.2Å; Y338-R342 WeakPolarHBondContact O-CG 3.32Å; Y338-R342 PolarHBondContact O-N 3.05Å; Y338-I354 HydrophobicContact CD2-CG2 4.09Å; Y338-A358 HydrophobicContact CD2-CB 3.98Å; Y338-A358 HydrophobicContact CG-CB 4.09Å |
| 339 | L | 98.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 41% | 0.414 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | -179.6 | -68.1 | 176.4 | 0 | 0 | 0 | 112.6 | T335 G336 S341 R342 | T335-L339 HydrophobicContact CG2-CD1 4.11Å; T335-L339 HydrophobicContact CG2-CG 4.43Å; T335-L339 WeakPolarHBondContact O-CB 3.43Å; T335-L339 VanDerWaalsContact O-CG 3.31Å; T335-L339 WeakPolarHBondContact O-CG 3.42Å; T335-L339 PolarHBondContact O-N 3.49Å; G336-L339 PolarHBondContact O-N 3.39Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.23Å; L339-R342 PolarHBondContact O-N 2.99Å |
| 340 | F | 97.3 | Very high | 96.5 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.9 | -176 | -105.9 | 0 | 0 | 0 | 111.2 | Q256 L257 F260 G336 L337 Y338 R342 R343 M344 | Q256-F340 HydrophobicContact CB-CE1 4.49Å; Q256-F340 HydrophobicContact CB-CZ 4.2Å; L257-F340 HydrophobicContact CB-CD1 4.34Å; L257-F340 HydrophobicContact CB-CE1 3.88Å; L257-F340 HydrophobicContact CD1-CD1 3.7Å; L257-F340 HydrophobicContact CD1-CE1 4.13Å; F260-F340 HydrophobicContact CD1-CD1 4.44Å; F260-F340 HydrophobicContact CE1-CB 4.41Å; G336-F340 WeakPolarHBondContact O-CB 3.21Å; G336-F340 PolarHBondContact O-N 2.95Å; L337-F340 PolarHBondContact O-N 3.31Å; Y338-F340 PolarHBondContact O-N 3.07Å; F340-R342 VanDerWaalsContact C-N 3.32Å; F340-R342 PolarHBondContact O-N 2.58Å; F340-R343 PolarHBondContact O-N 3.05Å; F340-M344 HydrophobicContact CD1-SD 4.17Å; F340-M344 HydrophobicContact CE1-SD 3.83Å; F340-M344 HydrophobicContact CZ-SD 4.45Å |
| 341 | S | 96.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -28.5 | 179.3 | 81 | 0 | 0 | 0 | 0 | 114 | L337 Y338 L339 R343 M344 | L337-S341 WeakPolarHBondContact O-CB 3.23Å; L337-S341 PolarHBondContact O-N 3.47Å; Y338-S341 PolarHBondContact O-N 3.1Å; Y338-S341 PolarHBondContact O-OG 3.3Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.23Å; S341-R343 PolarHBondContact O-N 2.81Å; S341-M344 WeakPolarHBondContact O-CB 3.38Å; S341-M344 PolarHBondContact O-N 3.13Å |
| 342 | R | 95.3 | Very high | 96.4 | Very high | 167 Ų | 167 | 72.3 Ų | 72.3 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.5 | -26.7 | -178.5 | -68 | -155.5 | -61.4 | 177.9 | 0.2 | 113.2 | Y338 L339 F340 M344 | Y338-R342 HydrophobicContact CE1-CG 4.2Å; Y338-R342 WeakPolarHBondContact O-CG 3.32Å; Y338-R342 PolarHBondContact O-N 3.05Å; L339-R342 PolarHBondContact O-N 2.99Å; F340-R342 VanDerWaalsContact C-N 3.32Å; F340-R342 PolarHBondContact O-N 2.58Å; R342-M344 PolarHBondContact O-N 3.5Å |
| 343 | R | 90.9 | Very high | 96.4 | Very high | 223 Ų | 223 | 67.9 Ų | 67.9 | 84% | 0.842 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 10.1 | 179 | -59.1 | -176.1 | -180 | 174.4 | 0.2 | 113.1 | F340 S341 | F340-R343 PolarHBondContact O-N 3.05Å; S341-R343 PolarHBondContact O-N 2.81Å |
| 344 | M | 93.3 | Very high | 96.3 | Very high | 25 Ų | 25 | 67.2 Ų | 67.2 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -123.9 | 144.9 | -172.3 | -58.7 | -177.9 | 66.8 | 0 | 0 | 112.5 | R253 L254 L257 F340 S341 R342 L346 | R253-M344 HydrophobicContact CB-CE 4.05Å; L254-M344 HydrophobicContact CB-CE 4.4Å; L257-M344 HydrophobicContact CB-CE 4.11Å; L257-M344 HydrophobicContact CB-SD 4.07Å; L257-M344 HydrophobicContact CD1-SD 4.34Å; L257-M344 HydrophobicContact CD2-CE 3.99Å; L257-M344 HydrophobicContact CD2-SD 3.9Å; L257-M344 HydrophobicContact CG-SD 4.33Å; F340-M344 HydrophobicContact CD1-SD 4.17Å; F340-M344 HydrophobicContact CE1-SD 3.83Å; F340-M344 HydrophobicContact CZ-SD 4.45Å; S341-M344 WeakPolarHBondContact O-CB 3.38Å; S341-M344 PolarHBondContact O-N 3.13Å; R342-M344 PolarHBondContact O-N 3.5Å; M344-L346 HydrophobicContact CB-CD1 4.41Å; M344-L346 HydrophobicContact CB-CD2 4.34Å; M344-L346 HydrophobicContact CB-CG 4Å; M344-L346 PolarHBondContact O-N 3.09Å; M344-L346 VanDerWaalsContact O-N 3.14Å |
| 345 | M | 92.3 | Very high | 96.3 | Very high | 193 Ų | 193 | 68.2 Ų | 68.2 | 95% | 0.951 | 31% | 0.311 | S | S | * | . | trans | -79.3 | 94.4 | 170 | -64.1 | -172.6 | 77.4 | 0 | 0 | 109.5 | ||||
| 346 | L | 94.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -112.1 | 151 | 178.5 | -61.2 | 176.7 | 0 | 0 | 0 | 111.4 | L254 L257 M344 A350 K351 I354 L402 | L254-L346 HydrophobicContact CD1-CD2 4.41Å; L257-L346 HydrophobicContact CD2-CD1 3.79Å; L257-L346 HydrophobicContact CD2-CD2 3.79Å; L257-L346 HydrophobicContact CD2-CG 4.42Å; M344-L346 HydrophobicContact CB-CD1 4.41Å; M344-L346 HydrophobicContact CB-CD2 4.34Å; M344-L346 HydrophobicContact CB-CG 4Å; M344-L346 PolarHBondContact O-N 3.09Å; M344-L346 VanDerWaalsContact O-N 3.14Å; L346-A350 HydrophobicContact CB-CB 4.37Å; L346-K351 HydrophobicContact CB-CG 3.96Å; L346-K351 VanDerWaalsContact O-CE 3.3Å; L346-K351 WeakPolarHBondContact O-CE 3.27Å; L346-I354 HydrophobicContact CD1-CD1 3.98Å; L346-L402 HydrophobicContact CD2-CD2 4.36Å | ||
| 347 | P | 93.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | trans | -54.8 | 147.7 | 171 | -23.4 | 32.8 | 0 | 0 | 0 | 112.2 | H246 M248 R349 A350 K351 | H246-P347 HydrophobicContact CB-CB 4.39Å; H246-P347 HydrophobicContact CB-CG 3.61Å; H246-P347 VanDerWaalsContact CG-CG 3.48Å; M248-P347 HydrophobicContact CG-CG 4.3Å; M248-P347 HydrophobicContact SD-CG 4.32Å; P347-R349 VanDerWaalsContact C-N 3.29Å; P347-R349 PolarHBondContact O-N 3.43Å; P347-A350 WeakPolarHBondContact O-CB 3.39Å; P347-A350 PolarHBondContact O-N 3.05Å; P347-K351 PolarHBondContact O-N 3.24Å; P347-K351 VanDerWaalsContact O-N 3.12Å | ||
| 348 | R | 94.7 | Very high | 96.4 | Very high | 211 Ų | 211 | 69.5 Ų | 69.5 | 80% | 0.796 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -52.9 | -43.9 | -177.4 | -176.6 | 177.3 | 177.4 | 179.7 | -0.1 | 112.7 | A350 K351 I352 | R348-A350 PolarHBondContact O-N 3.32Å; R348-K351 PolarHBondContact O-N 3.27Å; R348-I352 HydrophobicContact CG-CD1 3.96Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 2.86Å |
| 349 | R | 95.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 68.2 Ų | 68.2 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 178.6 | -68.9 | -170.6 | -71 | 138.8 | -8.8 | 112.9 | P244 H246 P347 I352 A353 E401 | P244-R349 PolarHBondContact O-NH2 2.63Å; H246-R349 PolarHBondContact CE1-NE 3.03Å; H246-R349 PolarHBondContact CE1-NH2 2.64Å; H246-R349 PolarHBondContact NE2-NH2 2.87Å; H246-R349 VanDerWaalsContact NE2-NH2 3.14Å; P347-R349 VanDerWaalsContact C-N 3.29Å; P347-R349 PolarHBondContact O-N 3.43Å; R349-I352 PolarHBondContact O-N 3.43Å; R349-A353 WeakPolarHBondContact O-CB 3.43Å; R349-A353 PolarHBondContact O-N 3.14Å; R349-E401 WeakPolarHBondContact CB-OE1 3.41Å; R349-E401 IonicContact CZ-OE1 3.13Å; R349-E401 IonicContact CZ-OE2 3.54Å; R349-E401 IonicContact NE-OE1 2.69Å; R349-E401 IonicContact NE-OE2 3.51Å; R349-E401 IonicContact NH1-OE1 2.64Å; R349-E401 PolarHBondContact NH1-OE1 3.47Å; R349-E401 IonicContact NH1-OE2 2.82Å; R349-E401 PolarHBondContact NH1-OE2 3.25Å; R349-E401 IonicContact NH2-OE2 3.64Å |
| 350 | A | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L346 P347 R348 I352 A353 I354 E401 L402 | L346-A350 HydrophobicContact CB-CB 4.37Å; P347-A350 WeakPolarHBondContact O-CB 3.39Å; P347-A350 PolarHBondContact O-N 3.05Å; R348-A350 PolarHBondContact O-N 3.32Å; A350-I352 PolarHBondContact O-N 3.13Å; A350-A353 PolarHBondContact O-N 3.31Å; A350-I354 VanDerWaalsContact O-CG1 3.25Å; A350-I354 WeakPolarHBondContact O-CG1 3.43Å; A350-I354 PolarHBondContact O-N 3.45Å; A350-E401 HydrophobicContact CB-CB 3.94Å; A350-L402 HydrophobicContact CB-CD2 4.45Å |
| 351 | K | 97.1 | Very high | 96.5 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 48% | 0.478 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.6 | -66.4 | -175.3 | 176 | -178.2 | 0 | 112 | L346 P347 R348 G355 | L346-K351 HydrophobicContact CB-CG 3.96Å; L346-K351 VanDerWaalsContact O-CE 3.3Å; L346-K351 WeakPolarHBondContact O-CE 3.27Å; P347-K351 PolarHBondContact O-N 3.24Å; P347-K351 VanDerWaalsContact O-N 3.12Å; R348-K351 PolarHBondContact O-N 3.27Å; K351-G355 PolarHBondContact O-N 3.36Å |
| 352 | I | 97.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.8 | -68.6 | 167.6 | 0 | 0 | 0 | 110.5 | R348 R349 A350 I354 G355 L356 W397 | R348-I352 HydrophobicContact CG-CD1 3.96Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 2.86Å; R349-I352 PolarHBondContact O-N 3.43Å; A350-I352 PolarHBondContact O-N 3.13Å; I352-I354 VanDerWaalsContact C-N 3.33Å; I352-I354 PolarHBondContact O-N 2.83Å; I352-G355 PolarHBondContact O-N 3.45Å; I352-G355 VanDerWaalsContact O-N 3.17Å; I352-L356 HydrophobicContact CG2-CD1 3.72Å; I352-L356 HydrophobicContact CG2-CG 4.26Å; I352-L356 WeakPolarHBondContact O-CG 3.49Å; I352-L356 PolarHBondContact O-N 3.26Å; I352-W397 HydrophobicContact CG2-CH2 4.03Å |
| 353 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | R349 A350 L356 L357 W397 V398 | R349-A353 WeakPolarHBondContact O-CB 3.43Å; R349-A353 PolarHBondContact O-N 3.14Å; A350-A353 PolarHBondContact O-N 3.31Å; A353-L356 PolarHBondContact O-N 2.92Å; A353-L357 WeakPolarHBondContact O-CB 3.47Å; A353-L357 PolarHBondContact O-N 2.96Å; A353-W397 HydrophobicContact CB-CD2 3.67Å; A353-W397 HydrophobicContact CB-CE3 3.94Å; A353-W397 HydrophobicContact CB-CG 4.04Å; A353-W397 HydrophobicContact CB-CH2 4.46Å; A353-W397 HydrophobicContact CB-CZ2 4.23Å; A353-W397 HydrophobicContact CB-CZ3 4.33Å; A353-V398 VanDerWaalsContact C-CG2 3.47Å; A353-V398 HydrophobicContact CB-CG2 3.74Å |
| 354 | I | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 177.8 | -63.6 | 167.1 | 0 | 0 | 0 | 111.1 | Y338 L346 A350 I352 A358 V398 | Y338-I354 HydrophobicContact CD2-CG2 4.09Å; L346-I354 HydrophobicContact CD1-CD1 3.98Å; A350-I354 VanDerWaalsContact O-CG1 3.25Å; A350-I354 WeakPolarHBondContact O-CG1 3.43Å; A350-I354 PolarHBondContact O-N 3.45Å; I352-I354 VanDerWaalsContact C-N 3.33Å; I352-I354 PolarHBondContact O-N 2.83Å; I354-A358 PolarHBondContact O-N 2.82Å; I354-V398 HydrophobicContact CB-CG2 4.37Å; I354-V398 HydrophobicContact CD1-CG1 4.46Å; I354-V398 HydrophobicContact CG1-CB 4.42Å; I354-V398 HydrophobicContact CG1-CG1 3.78Å; I354-V398 HydrophobicContact CG1-CG2 3.73Å |
| 355 | G | 98.6 | Very high | 97.3 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 25% | 0.247 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | K351 I352 A358 A359 | K351-G355 PolarHBondContact O-N 3.36Å; I352-G355 PolarHBondContact O-N 3.45Å; I352-G355 VanDerWaalsContact O-N 3.17Å; G355-A358 PolarHBondContact O-N 3.48Å; G355-A359 PolarHBondContact O-N 2.94Å |
| 356 | L | 98.8 | Very high | 97.6 | Very high | 73 Ų | 73 | 48 Ų | 48 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.2 | -37.3 | 176.7 | -69.2 | 173 | 0 | 0 | 0 | 112.2 | I352 A353 A358 A359 M360 F394 W397 | I352-L356 HydrophobicContact CG2-CD1 3.72Å; I352-L356 HydrophobicContact CG2-CG 4.26Å; I352-L356 WeakPolarHBondContact O-CG 3.49Å; I352-L356 PolarHBondContact O-N 3.26Å; A353-L356 PolarHBondContact O-N 2.92Å; L356-A358 VanDerWaalsContact C-N 3.31Å; L356-A358 PolarHBondContact O-N 3.19Å; L356-A359 PolarHBondContact O-N 3.46Å; L356-M360 WeakPolarHBondContact O-CB 3.32Å; L356-M360 PolarHBondContact O-N 3.1Å; L356-F394 HydrophobicContact CB-CD1 3.73Å; L356-F394 HydrophobicContact CB-CE1 3.64Å; L356-F394 HydrophobicContact CB-CG 4.38Å; L356-F394 HydrophobicContact CB-CZ 4.17Å; L356-F394 HydrophobicContact CD1-CE1 3.89Å; L356-F394 HydrophobicContact CG-CE1 4.33Å; L356-W397 HydrophobicContact CD1-CH2 4.18Å; L356-W397 HydrophobicContact CD1-CZ3 3.7Å |
| 357 | L | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 170.5 | 176 | 61.1 | 0 | 0 | 0 | 111 | I268 I334 L337 A353 A361 L391 F394 A395 V398 | I268-L357 HydrophobicContact CD1-CD1 4Å; I334-L357 HydrophobicContact CD1-CD1 4.43Å; I334-L357 HydrophobicContact CG2-CD2 4.44Å; I334-L357 HydrophobicContact CG2-CG 3.93Å; L337-L357 HydrophobicContact CD2-CD2 4.18Å; A353-L357 WeakPolarHBondContact O-CB 3.47Å; A353-L357 PolarHBondContact O-N 2.96Å; L357-A361 WeakPolarHBondContact O-CB 3.33Å; L357-A361 PolarHBondContact O-N 3.48Å; L357-L391 HydrophobicContact CD1-CD1 3.73Å; L357-L391 HydrophobicContact CD1-CG 4.34Å; L357-F394 HydrophobicContact CB-CB 3.9Å; L357-F394 HydrophobicContact CD1-CB 3.93Å; L357-A395 HydrophobicContact CD1-CB 4.15Å; L357-V398 HydrophobicContact CB-CG2 4.29Å; L357-V398 HydrophobicContact CD2-CG2 4.02Å |
| 358 | A | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I334 Y338 I354 G355 L356 M360 A361 Y362 | I334-A358 HydrophobicContact CG2-CB 4.24Å; Y338-A358 HydrophobicContact CD2-CB 3.98Å; Y338-A358 HydrophobicContact CG-CB 4.09Å; I354-A358 PolarHBondContact O-N 2.82Å; G355-A358 PolarHBondContact O-N 3.48Å; L356-A358 VanDerWaalsContact C-N 3.31Å; L356-A358 PolarHBondContact O-N 3.19Å; A358-M360 VanDerWaalsContact C-N 3.35Å; A358-M360 PolarHBondContact O-N 3.2Å; A358-A361 WeakPolarHBondContact O-CB 3.46Å; A358-A361 PolarHBondContact O-N 3.12Å; A358-A361 VanDerWaalsContact O-N 3.08Å; A358-Y362 VanDerWaalsContact O-CD2 3.23Å; A358-Y362 WeakPolarHBondContact O-CD2 3.48Å; A358-Y362 PolarHBondContact O-N 2.94Å |
| 359 | A | 98.8 | Very high | 98.2 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.8 | -47.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G355 L356 A361 Y362 T363 | G355-A359 PolarHBondContact O-N 2.94Å; L356-A359 PolarHBondContact O-N 3.46Å; A359-A361 VanDerWaalsContact C-N 3.27Å; A359-A361 PolarHBondContact O-N 2.99Å; A359-Y362 PolarHBondContact O-N 3.45Å; A359-T363 PolarHBondContact O-N 3Å; A359-T363 VanDerWaalsContact O-N 3.13Å; A359-T363 PolarHBondContact O-OG1 3.39Å |
| 360 | M | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -32.1 | 177.8 | -172.4 | 62.7 | -131.4 | 0 | 0 | 112.2 | L356 A358 T363 Q364 A390 L391 F394 | L356-M360 WeakPolarHBondContact O-CB 3.32Å; L356-M360 PolarHBondContact O-N 3.1Å; A358-M360 VanDerWaalsContact C-N 3.35Å; A358-M360 PolarHBondContact O-N 3.2Å; M360-T363 HydrophobicContact CE-CG2 4Å; M360-T363 PolarHBondContact O-N 3.07Å; M360-Q364 HydrophobicContact CE-CB 4.19Å; M360-Q364 VanDerWaalsContact O-CB 3.28Å; M360-Q364 WeakPolarHBondContact O-CB 3.49Å; M360-Q364 PolarHBondContact O-N 3.03Å; M360-A390 HydrophobicContact SD-CB 4.34Å; M360-L391 HydrophobicContact CB-CD1 3.91Å; M360-L391 HydrophobicContact CG-CB 4.04Å; M360-L391 HydrophobicContact CG-CD1 3.9Å; M360-F394 HydrophobicContact CB-CD2 3.77Å; M360-F394 HydrophobicContact CB-CE2 3.92Å; M360-F394 HydrophobicContact CG-CD2 3.97Å; M360-F394 HydrophobicContact CG-CE2 4.05Å |
| 361 | A | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L331 I334 L357 A358 A359 Q364 V365 L391 | L331-A361 HydrophobicContact CD1-CB 3.87Å; I334-A361 HydrophobicContact CB-CB 4.26Å; I334-A361 HydrophobicContact CD1-CB 3.58Å; I334-A361 HydrophobicContact CG2-CB 3.89Å; L357-A361 WeakPolarHBondContact O-CB 3.33Å; L357-A361 PolarHBondContact O-N 3.48Å; A358-A361 WeakPolarHBondContact O-CB 3.46Å; A358-A361 PolarHBondContact O-N 3.12Å; A358-A361 VanDerWaalsContact O-N 3.08Å; A359-A361 VanDerWaalsContact C-N 3.27Å; A359-A361 PolarHBondContact O-N 2.99Å; A361-Q364 PolarHBondContact O-N 2.88Å; A361-V365 PolarHBondContact O-N 3.36Å; A361-L391 HydrophobicContact CB-CD1 3.94Å |
| 362 | Y | 98.8 | Very high | 98.5 | Very high | 124 Ų | 124 | 35.5 Ų | 35.5 | 49% | 0.486 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 175 | -74.3 | -86.3 | 0 | 0 | 0 | 111.4 | L331 T335 A358 A359 Q364 V365 A366 | L331-Y362 HydrophobicContact CD1-CD1 4.05Å; L331-Y362 HydrophobicContact CD1-CD2 4.06Å; L331-Y362 HydrophobicContact CD1-CE1 4.01Å; L331-Y362 HydrophobicContact CD1-CE2 3.98Å; L331-Y362 HydrophobicContact CD1-CG 4.06Å; L331-Y362 HydrophobicContact CD2-CD1 4.48Å; L331-Y362 HydrophobicContact CD2-CE1 4.29Å; T335-Y362 PolarHBondContact OG1-OH 2.96Å; A358-Y362 VanDerWaalsContact O-CD2 3.23Å; A358-Y362 WeakPolarHBondContact O-CD2 3.48Å; A358-Y362 PolarHBondContact O-N 2.94Å; A359-Y362 PolarHBondContact O-N 3.45Å; Y362-Q364 VanDerWaalsContact C-N 3.27Å; Y362-Q364 PolarHBondContact O-N 2.98Å; Y362-V365 PolarHBondContact O-N 3.38Å; Y362-A366 WeakPolarHBondContact O-CB 3.41Å; Y362-A366 PolarHBondContact O-N 3.25Å |
| 363 | T | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 45% | 0.448 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.3 | -42.8 | 173.3 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | A359 M360 A366 L367 | A359-T363 PolarHBondContact O-N 3Å; A359-T363 VanDerWaalsContact O-N 3.13Å; A359-T363 PolarHBondContact O-OG1 3.39Å; M360-T363 HydrophobicContact CE-CG2 4Å; M360-T363 PolarHBondContact O-N 3.07Å; T363-A366 PolarHBondContact O-N 3.3Å; T363-L367 HydrophobicContact CG2-CD1 4.09Å; T363-L367 HydrophobicContact CG2-CG 4.41Å; T363-L367 WeakPolarHBondContact O-CB 3.46Å; T363-L367 WeakPolarHBondContact O-CG 3.46Å; T363-L367 PolarHBondContact O-N 3.12Å |
| 364 | Q | 98.7 | Very high | 98.5 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | -178.4 | -173.3 | 63.2 | 7.7 | 0 | 0 | 112.3 | M360 A361 Y362 A366 L367 G368 H384 G387 L391 | M360-Q364 HydrophobicContact CE-CB 4.19Å; M360-Q364 VanDerWaalsContact O-CB 3.28Å; M360-Q364 WeakPolarHBondContact O-CB 3.49Å; M360-Q364 PolarHBondContact O-N 3.03Å; A361-Q364 PolarHBondContact O-N 2.88Å; Y362-Q364 VanDerWaalsContact C-N 3.27Å; Y362-Q364 PolarHBondContact O-N 2.98Å; Q364-A366 VanDerWaalsContact C-N 3.35Å; Q364-L367 PolarHBondContact O-N 2.86Å; Q364-G368 PolarHBondContact O-N 2.84Å; Q364-H384 PolarHBondContact NE2-CD2 2.78Å; Q364-H384 PolarHBondContact NE2-NE2 2.95Å; Q364-H384 VanDerWaalsContact NE2-NE2 3.13Å; Q364-H384 PolarHBondContact NE2-O 3.36Å; Q364-H384 PolarHBondContact O-CD2 2.72Å; Q364-H384 PolarHBondContact OE1-O 2.93Å; Q364-G387 VanDerWaalsContact OE1-CA 3.26Å; Q364-L391 HydrophobicContact CB-CD2 4.38Å; Q364-L391 HydrophobicContact CG-CD2 4.28Å |
| 365 | V | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.1 | 170.3 | 0 | 0 | 0 | 0 | 111 | L331 A361 Y362 L367 G368 I369 | L331-V365 HydrophobicContact CB-CG2 4.11Å; L331-V365 HydrophobicContact CD2-CB 4.5Å; L331-V365 HydrophobicContact CD2-CG1 4.5Å; L331-V365 HydrophobicContact CD2-CG2 4.05Å; L331-V365 HydrophobicContact CG-CG2 4.44Å; A361-V365 PolarHBondContact O-N 3.36Å; Y362-V365 PolarHBondContact O-N 3.38Å; V365-L367 PolarHBondContact O-N 3.25Å; V365-G368 PolarHBondContact O-N 3.29Å; V365-I369 HydrophobicContact CG1-CD1 3.66Å; V365-I369 HydrophobicContact CG1-CG1 4.29Å; V365-I369 WeakPolarHBondContact O-CB 3.41Å; V365-I369 VanDerWaalsContact O-CG1 3.32Å; V365-I369 WeakPolarHBondContact O-CG1 3.32Å; V365-I369 PolarHBondContact O-N 3.2Å |
| 366 | A | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 49 Ų | 49 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y362 T363 Q364 S370 | Y362-A366 WeakPolarHBondContact O-CB 3.41Å; Y362-A366 PolarHBondContact O-N 3.25Å; T363-A366 PolarHBondContact O-N 3.3Å; Q364-A366 VanDerWaalsContact C-N 3.35Å; A366-S370 VanDerWaalsContact O-CB 3.28Å; A366-S370 WeakPolarHBondContact O-CB 3.48Å; A366-S370 PolarHBondContact O-N 3.1Å; A366-S370 PolarHBondContact O-OG 3.43Å |
| 367 | L | 98.6 | Very high | 98.2 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.2 | -73.4 | 171.1 | 0 | 0 | 0 | 111.9 | T363 Q364 V365 S370 T371 L380 T383 H384 | T363-L367 HydrophobicContact CG2-CD1 4.09Å; T363-L367 HydrophobicContact CG2-CG 4.41Å; T363-L367 WeakPolarHBondContact O-CB 3.46Å; T363-L367 WeakPolarHBondContact O-CG 3.46Å; T363-L367 PolarHBondContact O-N 3.12Å; Q364-L367 PolarHBondContact O-N 2.86Å; V365-L367 PolarHBondContact O-N 3.25Å; L367-S370 PolarHBondContact O-N 3.36Å; L367-T371 WeakPolarHBondContact O-CB 3.44Å; L367-T371 PolarHBondContact O-N 2.94Å; L367-T371 PolarHBondContact O-OG1 2.87Å; L367-L380 HydrophobicContact CD2-CD1 3.84Å; L367-T383 HydrophobicContact CD1-CG2 3.99Å; L367-T383 HydrophobicContact CD2-CG2 3.82Å; L367-H384 HydrophobicContact CB-CB 4.15Å |
| 368 | G | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -46 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q364 V365 S370 T371 L372 H384 | Q364-G368 PolarHBondContact O-N 2.84Å; V365-G368 PolarHBondContact O-N 3.29Å; G368-S370 VanDerWaalsContact C-N 3.33Å; G368-S370 PolarHBondContact O-N 2.96Å; G368-T371 PolarHBondContact O-N 2.97Å; G368-L372 WeakPolarHBondContact O-CB 3.46Å; G368-L372 PolarHBondContact O-N 2.95Å; G368-H384 WeakPolarHBondContact CA-CD2 3.42Å; G368-H384 WeakPolarHBondContact CA-NE2 3.4Å; G368-H384 PolarHBondContact N-CD2 3.34Å |
| 369 | I | 98.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.5 | -66.5 | 169.2 | 0 | 0 | 0 | 110.2 | F290 V365 L372 L373 | F290-I369 HydrophobicContact CB-CG2 4.41Å; F290-I369 HydrophobicContact CD1-CD1 3.87Å; F290-I369 HydrophobicContact CD1-CG1 4.16Å; F290-I369 HydrophobicContact CD1-CG2 4.45Å; F290-I369 HydrophobicContact CD2-CG1 4.14Å; F290-I369 HydrophobicContact CE1-CD1 3.61Å; F290-I369 HydrophobicContact CE1-CG1 4.2Å; F290-I369 HydrophobicContact CE2-CD1 4.35Å; F290-I369 HydrophobicContact CE2-CG1 4.18Å; F290-I369 HydrophobicContact CG-CD1 4.37Å; F290-I369 HydrophobicContact CG-CG1 4.14Å; F290-I369 HydrophobicContact CG-CG2 4.39Å; F290-I369 HydrophobicContact CZ-CD1 3.87Å; F290-I369 HydrophobicContact CZ-CG1 4.21Å; V365-I369 HydrophobicContact CG1-CD1 3.66Å; V365-I369 HydrophobicContact CG1-CG1 4.29Å; V365-I369 WeakPolarHBondContact O-CB 3.41Å; V365-I369 VanDerWaalsContact O-CG1 3.32Å; V365-I369 WeakPolarHBondContact O-CG1 3.32Å; V365-I369 PolarHBondContact O-N 3.2Å; I369-L372 WeakPolarHBondContact O-CB 3.45Å; I369-L372 PolarHBondContact O-N 3.05Å; I369-L373 HydrophobicContact CG2-CD1 3.69Å; I369-L373 HydrophobicContact CG2-CG 4.06Å; I369-L373 VanDerWaalsContact O-CG 3.31Å; I369-L373 WeakPolarHBondContact O-CG 3.47Å; I369-L373 PolarHBondContact O-N 3.13Å |
| 370 | S | 98.5 | Very high | 97.8 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 179.6 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | A366 L367 G368 L372 L373 L374 L380 | A366-S370 VanDerWaalsContact O-CB 3.28Å; A366-S370 WeakPolarHBondContact O-CB 3.48Å; A366-S370 PolarHBondContact O-N 3.1Å; A366-S370 PolarHBondContact O-OG 3.43Å; L367-S370 PolarHBondContact O-N 3.36Å; G368-S370 VanDerWaalsContact C-N 3.33Å; G368-S370 PolarHBondContact O-N 2.96Å; S370-L372 PolarHBondContact O-N 3.28Å; S370-L373 PolarHBondContact O-N 3.3Å; S370-L374 VanDerWaalsContact O-CB 3.31Å; S370-L374 WeakPolarHBondContact O-CB 3.16Å; S370-L374 WeakPolarHBondContact O-CG 3.27Å; S370-L374 PolarHBondContact O-N 3.42Å; S370-L374 VanDerWaalsContact O-N 3.08Å; S370-L380 VanDerWaalsContact C-CD2 3.44Å; S370-L380 WeakPolarHBondContact O-CD2 3.38Å |
| 371 | T | 97.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 174.5 | -55 | 0 | 0 | 0 | 0 | 110.5 | L367 G368 V376 A381 | L367-T371 WeakPolarHBondContact O-CB 3.44Å; L367-T371 PolarHBondContact O-N 2.94Å; L367-T371 PolarHBondContact O-OG1 2.87Å; G368-T371 PolarHBondContact O-N 2.97Å; T371-V376 HydrophobicContact CG2-CB 4.37Å; T371-V376 HydrophobicContact CG2-CG1 4.04Å; T371-V376 HydrophobicContact CG2-CG2 4.48Å; T371-V376 WeakPolarHBondContact O-CA 3.43Å; T371-V376 PolarHBondContact O-N 3.15Å; T371-A381 HydrophobicContact CG2-CB 3.88Å |
| 372 | L | 97.2 | Very high | 97.6 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -54.1 | 178.7 | -178.8 | 67.4 | 0 | 0 | 0 | 112.5 | Y287 N288 F290 G368 I369 S370 L374 Y375 | Y287-L372 WeakPolarHBondContact O-CD1 3.33Å; N288-L372 PolarHBondContact ND2-O 2.97Å; F290-L372 HydrophobicContact CB-CD2 4.31Å; F290-L372 HydrophobicContact CD2-CD2 4.4Å; G368-L372 WeakPolarHBondContact O-CB 3.46Å; G368-L372 PolarHBondContact O-N 2.95Å; I369-L372 WeakPolarHBondContact O-CB 3.45Å; I369-L372 PolarHBondContact O-N 3.05Å; S370-L372 PolarHBondContact O-N 3.28Å; L372-L374 VanDerWaalsContact C-N 3.25Å; L372-L374 PolarHBondContact O-N 2.87Å; L372-Y375 PolarHBondContact O-N 3.21Å |
| 373 | L | 98.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -26 | -173.9 | -66.2 | 179.9 | 0 | 0 | 0 | 113 | N288 F290 I369 S370 | N288-L373 VanDerWaalsContact O-CD2 3.3Å; N288-L373 WeakPolarHBondContact O-CD2 3.41Å; F290-L373 HydrophobicContact CB-CD2 4.34Å; I369-L373 HydrophobicContact CG2-CD1 3.69Å; I369-L373 HydrophobicContact CG2-CG 4.06Å; I369-L373 VanDerWaalsContact O-CG 3.31Å; I369-L373 WeakPolarHBondContact O-CG 3.47Å; I369-L373 PolarHBondContact O-N 3.13Å; S370-L373 PolarHBondContact O-N 3.3Å |
| 374 | L | 97.9 | Very high | 97.5 | Very high | 106 Ų | 106 | 49 Ų | 49 | 56% | 0.555 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 15.9 | -178.9 | -60.5 | 176.6 | 0 | 0 | 0 | 113.3 | S370 L372 P377 L380 | S370-L374 VanDerWaalsContact O-CB 3.31Å; S370-L374 WeakPolarHBondContact O-CB 3.16Å; S370-L374 WeakPolarHBondContact O-CG 3.27Å; S370-L374 PolarHBondContact O-N 3.42Å; S370-L374 VanDerWaalsContact O-N 3.08Å; L372-L374 VanDerWaalsContact C-N 3.25Å; L372-L374 PolarHBondContact O-N 2.87Å; L374-P377 HydrophobicContact CB-CG 3.74Å; L374-P377 VanDerWaalsContact O-CD 3.25Å; L374-P377 WeakPolarHBondContact O-CD 3.08Å; L374-P377 VanDerWaalsContact O-CG 3.25Å; L374-P377 WeakPolarHBondContact O-CG 3.12Å; L374-L380 HydrophobicContact CD1-CD2 3.84Å |
| 375 | Y | 97 | Very high | 97.4 | Very high | 159 Ų | 159 | 50.3 Ų | 50.3 | 62% | 0.624 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 47.8 | 176.6 | -57.4 | -91.1 | 0 | 0 | 0 | 114 | N288 L372 | N288-Y375 HydrophobicContact CB-CD1 4Å; N288-Y375 HydrophobicContact CB-CE1 3.6Å; L372-Y375 PolarHBondContact O-N 3.21Å |
| 376 | V | 96.6 | Very high | 97.4 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | trans | 54.7 | 53.7 | 172 | -160.8 | 0 | 0 | 0 | 0 | 114.2 | L285 T371 T378 A381 | L285-V376 HydrophobicContact CD2-CB 4.18Å; L285-V376 HydrophobicContact CD2-CG2 3.78Å; L285-V376 HydrophobicContact CG-CG2 4.11Å; T371-V376 HydrophobicContact CG2-CB 4.37Å; T371-V376 HydrophobicContact CG2-CG1 4.04Å; T371-V376 HydrophobicContact CG2-CG2 4.48Å; T371-V376 WeakPolarHBondContact O-CA 3.43Å; T371-V376 PolarHBondContact O-N 3.15Å; V376-T378 PolarHBondContact O-N 2.9Å; V376-A381 HydrophobicContact CG1-CB 3.78Å | ||
| 377 | P | 96.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 31% | 0.312 | 27% | 0.271 | S | S | . | . | trans | -61.5 | 130.7 | 174.5 | -17.6 | 31.8 | 0 | 0 | 0 | 110.3 | L374 P379 L380 A381 | L374-P377 HydrophobicContact CB-CG 3.74Å; L374-P377 VanDerWaalsContact O-CD 3.25Å; L374-P377 WeakPolarHBondContact O-CD 3.08Å; L374-P377 VanDerWaalsContact O-CG 3.25Å; L374-P377 WeakPolarHBondContact O-CG 3.12Å; P377-P379 VanDerWaalsContact C-CD 3.5Å; P377-L380 HydrophobicContact CB-CB 4.3Å; P377-L380 WeakPolarHBondContact O-CA 3.46Å; P377-L380 WeakPolarHBondContact O-CB 3.39Å; P377-L380 PolarHBondContact O-N 3.26Å; P377-A381 PolarHBondContact O-N 2.73Å | ||
| 378 | T | 94.3 | Very high | 97.4 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -49.5 | -46.2 | -174 | -54.3 | 0 | 0 | 0 | 0 | 114.1 | L89 T90 V376 L380 A381 A382 | L89-T378 HydrophobicContact CB-CG2 3.86Å; L89-T378 HydrophobicContact CD1-CG2 4.41Å; T90-T378 HydrophobicContact CG2-CG2 4.13Å; V376-T378 PolarHBondContact O-N 2.9Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 2.87Å; T378-A381 PolarHBondContact O-N 2.69Å; T378-A382 VanDerWaalsContact O-CB 3.24Å; T378-A382 WeakPolarHBondContact O-CB 3.3Å; T378-A382 PolarHBondContact O-N 2.95Å |
| 379 | P | 96.4 | Very high | 97.4 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.1 | -36.9 | 178 | -23 | 34.8 | 0 | 0 | 0 | 113.1 | P377 T383 | P377-P379 VanDerWaalsContact C-CD 3.5Å; P379-T383 WeakPolarHBondContact O-CB 3.3Å; P379-T383 PolarHBondContact O-N 3.33Å; P379-T383 PolarHBondContact O-OG1 3.16Å |
| 380 | L | 97.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 18% | 0.183 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.7 | -42.6 | -177.3 | -170.5 | 57.8 | 0 | 0 | 0 | 111.3 | L367 S370 L374 P377 T378 T383 H384 | L367-L380 HydrophobicContact CD2-CD1 3.84Å; S370-L380 VanDerWaalsContact C-CD2 3.44Å; S370-L380 WeakPolarHBondContact O-CD2 3.38Å; L374-L380 HydrophobicContact CD1-CD2 3.84Å; P377-L380 HydrophobicContact CB-CB 4.3Å; P377-L380 WeakPolarHBondContact O-CA 3.46Å; P377-L380 WeakPolarHBondContact O-CB 3.39Å; P377-L380 PolarHBondContact O-N 3.26Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 2.87Å; L380-T383 PolarHBondContact O-N 2.78Å; L380-H384 WeakPolarHBondContact O-CB 3.18Å; L380-H384 PolarHBondContact O-N 2.77Å |
| 381 | A | 96.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L89 T371 V376 P377 T378 T383 H384 Q385 | L89-A381 HydrophobicContact CD1-CB 3.76Å; L89-A381 HydrophobicContact CD2-CB 3.95Å; T371-A381 HydrophobicContact CG2-CB 3.88Å; V376-A381 HydrophobicContact CG1-CB 3.78Å; P377-A381 PolarHBondContact O-N 2.73Å; T378-A381 PolarHBondContact O-N 2.69Å; A381-T383 VanDerWaalsContact C-N 3.34Å; A381-T383 PolarHBondContact O-N 2.87Å; A381-H384 PolarHBondContact O-N 3.41Å; A381-Q385 PolarHBondContact O-N 3.15Å |
| 382 | A | 96.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 12% | 0.116 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V86 L89 T378 Q385 S386 | V86-A382 HydrophobicContact CG2-CB 3.91Å; L89-A382 HydrophobicContact CD1-CB 4.14Å; T378-A382 VanDerWaalsContact O-CB 3.24Å; T378-A382 WeakPolarHBondContact O-CB 3.3Å; T378-A382 PolarHBondContact O-N 2.95Å; A382-Q385 PolarHBondContact O-N 3.45Å; A382-S386 WeakPolarHBondContact O-CB 3.18Å; A382-S386 PolarHBondContact O-N 2.84Å; A382-S386 PolarHBondContact O-OG 2.74Å |
| 383 | T | 97.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | L367 P379 L380 A381 S386 G387 | L367-T383 HydrophobicContact CD1-CG2 3.99Å; L367-T383 HydrophobicContact CD2-CG2 3.82Å; P379-T383 WeakPolarHBondContact O-CB 3.3Å; P379-T383 PolarHBondContact O-N 3.33Å; P379-T383 PolarHBondContact O-OG1 3.16Å; L380-T383 PolarHBondContact O-N 2.78Å; A381-T383 VanDerWaalsContact C-N 3.34Å; A381-T383 PolarHBondContact O-N 2.87Å; T383-S386 PolarHBondContact O-N 3.47Å; T383-G387 PolarHBondContact O-N 2.9Å |
| 384 | H | 98.3 | Very high | 97.5 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.181 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 174.2 | 178.2 | -105.3 | 0 | 0 | 0 | 111.3 | Q364 L367 G368 L380 A381 S386 G387 S388 | Q364-H384 PolarHBondContact NE2-CD2 2.78Å; Q364-H384 PolarHBondContact NE2-NE2 2.95Å; Q364-H384 VanDerWaalsContact NE2-NE2 3.13Å; Q364-H384 PolarHBondContact NE2-O 3.36Å; Q364-H384 PolarHBondContact O-CD2 2.72Å; Q364-H384 PolarHBondContact OE1-O 2.93Å; L367-H384 HydrophobicContact CB-CB 4.15Å; G368-H384 WeakPolarHBondContact CA-CD2 3.42Å; G368-H384 WeakPolarHBondContact CA-NE2 3.4Å; G368-H384 PolarHBondContact N-CD2 3.34Å; L380-H384 WeakPolarHBondContact O-CB 3.18Å; L380-H384 PolarHBondContact O-N 2.77Å; A381-H384 PolarHBondContact O-N 3.41Å; H384-S386 PolarHBondContact O-N 3.39Å; H384-G387 PolarHBondContact O-N 3.48Å; H384-S388 PolarHBondContact O-N 2.98Å |
| 385 | Q | 96.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 39 Ų | 39 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.8 | -179.5 | 174.8 | -43.9 | 0 | 0 | 111.9 | V81 A381 A382 G387 S388 V389 | V81-Q385 PolarHBondContact O-NE2 3.46Å; A381-Q385 PolarHBondContact O-N 3.15Å; A382-Q385 PolarHBondContact O-N 3.45Å; Q385-G387 VanDerWaalsContact C-N 3.32Å; Q385-G387 PolarHBondContact O-N 3.21Å; Q385-S388 VanDerWaalsContact O-CB 3.3Å; Q385-S388 WeakPolarHBondContact O-CB 3.42Å; Q385-S388 PolarHBondContact O-N 2.89Å; Q385-V389 PolarHBondContact O-N 3.39Å |
| 386 | S | 97.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 177 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | V82 A382 T383 H384 S388 V389 A390 | V82-S386 VanDerWaalsContact CG2-OG 3.29Å; V82-S386 WeakPolarHBondContact CG2-OG 3.42Å; A382-S386 WeakPolarHBondContact O-CB 3.18Å; A382-S386 PolarHBondContact O-N 2.84Å; A382-S386 PolarHBondContact O-OG 2.74Å; T383-S386 PolarHBondContact O-N 3.47Å; H384-S386 PolarHBondContact O-N 3.39Å; S386-S388 VanDerWaalsContact C-N 3.29Å; S386-S388 PolarHBondContact O-N 3.28Å; S386-V389 PolarHBondContact O-N 3.34Å; S386-A390 PolarHBondContact O-N 3.16Å |
| 387 | G | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q364 T383 H384 Q385 V389 A390 L391 | Q364-G387 VanDerWaalsContact OE1-CA 3.26Å; T383-G387 PolarHBondContact O-N 2.9Å; H384-G387 PolarHBondContact O-N 3.48Å; Q385-G387 VanDerWaalsContact C-N 3.32Å; Q385-G387 PolarHBondContact O-N 3.21Å; G387-V389 PolarHBondContact O-N 2.82Å; G387-A390 WeakPolarHBondContact O-CB 3.5Å; G387-A390 PolarHBondContact O-N 3.4Å; G387-L391 WeakPolarHBondContact O-CB 3.09Å; G387-L391 PolarHBondContact O-N 3Å |
| 388 | S | 98.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.9 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | A272 H384 Q385 S386 L391 L392 | A272-S388 WeakPolarHBondContact CB-OG 3.47Å; H384-S388 PolarHBondContact O-N 2.98Å; Q385-S388 VanDerWaalsContact O-CB 3.3Å; Q385-S388 WeakPolarHBondContact O-CB 3.42Å; Q385-S388 PolarHBondContact O-N 2.89Å; S386-S388 VanDerWaalsContact C-N 3.29Å; S386-S388 PolarHBondContact O-N 3.28Å; S388-L391 WeakPolarHBondContact O-CB 3.12Å; S388-L391 PolarHBondContact O-N 2.99Å; S388-L392 PolarHBondContact O-N 2.78Å |
| 389 | V | 98.3 | Very high | 97.9 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 111 | V78 V81 L228 Y231 Q385 S386 G387 L392 T393 | V78-V389 HydrophobicContact CB-CG1 4.49Å; V78-V389 HydrophobicContact CG1-CG1 4.22Å; V78-V389 HydrophobicContact CG2-CG1 3.79Å; V81-V389 HydrophobicContact CG1-CG2 3.86Å; L228-V389 HydrophobicContact CD2-CG2 4.18Å; Y231-V389 HydrophobicContact CD1-CG1 4.41Å; Y231-V389 HydrophobicContact CE1-CG1 3.99Å; Y231-V389 HydrophobicContact CE2-CG1 4.46Å; Q385-V389 PolarHBondContact O-N 3.39Å; S386-V389 PolarHBondContact O-N 3.34Å; G387-V389 PolarHBondContact O-N 2.82Å; V389-L392 WeakPolarHBondContact O-CB 3.35Å; V389-L392 PolarHBondContact O-N 2.83Å; V389-T393 PolarHBondContact O-N 2.97Å; V389-T393 PolarHBondContact O-OG1 3.03Å |
| 390 | A | 98.5 | Very high | 97.9 | Very high | 31 Ų | 31 | 25.4 Ų | 25.4 | 26% | 0.256 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M360 S386 G387 L392 T393 F394 | M360-A390 HydrophobicContact SD-CB 4.34Å; S386-A390 PolarHBondContact O-N 3.16Å; G387-A390 WeakPolarHBondContact O-CB 3.5Å; G387-A390 PolarHBondContact O-N 3.4Å; A390-L392 VanDerWaalsContact C-N 3.32Å; A390-L392 PolarHBondContact O-N 2.99Å; A390-T393 WeakPolarHBondContact CA-OG1 3.5Å; A390-T393 WeakPolarHBondContact O-CB 3.37Å; A390-T393 PolarHBondContact O-N 2.98Å; A390-T393 VanDerWaalsContact O-N 3.14Å; A390-T393 PolarHBondContact O-OG1 2.95Å; A390-F394 WeakPolarHBondContact O-CD2 3.48Å; A390-F394 PolarHBondContact O-N 3.27Å |
| 391 | L | 98.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.9 | -173.6 | 67.5 | 0 | 0 | 0 | 111 | I268 I334 L357 M360 A361 Q364 G387 S388 T393 F394 A395 | I268-L391 HydrophobicContact CD1-CG 4.47Å; I268-L391 HydrophobicContact CG1-CD2 4.46Å; I268-L391 HydrophobicContact CG2-CD2 4.11Å; I268-L391 HydrophobicContact CG2-CG 4.14Å; I334-L391 HydrophobicContact CD1-CD1 4.23Å; I334-L391 HydrophobicContact CD1-CD2 4.3Å; L357-L391 HydrophobicContact CD1-CD1 3.73Å; L357-L391 HydrophobicContact CD1-CG 4.34Å; M360-L391 HydrophobicContact CB-CD1 3.91Å; M360-L391 HydrophobicContact CG-CB 4.04Å; M360-L391 HydrophobicContact CG-CD1 3.9Å; A361-L391 HydrophobicContact CB-CD1 3.94Å; Q364-L391 HydrophobicContact CB-CD2 4.38Å; Q364-L391 HydrophobicContact CG-CD2 4.28Å; G387-L391 WeakPolarHBondContact O-CB 3.09Å; G387-L391 PolarHBondContact O-N 3Å; S388-L391 WeakPolarHBondContact O-CB 3.12Å; S388-L391 PolarHBondContact O-N 2.99Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.14Å; L391-F394 PolarHBondContact O-N 3.3Å; L391-A395 PolarHBondContact O-N 3.15Å |
| 392 | L | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.2 | -172.2 | 60.6 | 0 | 0 | 0 | 111.9 | L228 Y231 C232 I268 F269 S388 V389 A390 F394 A395 I396 | L228-L392 HydrophobicContact CB-CD2 4.42Å; L228-L392 HydrophobicContact CD2-CD2 4.11Å; Y231-L392 HydrophobicContact CD1-CD2 4.36Å; C232-L392 VanDerWaalsContact SG-CD2 3.54Å; I268-L392 HydrophobicContact CG2-CB 4.34Å; I268-L392 HydrophobicContact CG2-CD1 4.16Å; F269-L392 HydrophobicContact CB-CD1 4.34Å; F269-L392 HydrophobicContact CD2-CD2 4.26Å; S388-L392 PolarHBondContact O-N 2.78Å; V389-L392 WeakPolarHBondContact O-CB 3.35Å; V389-L392 PolarHBondContact O-N 2.83Å; A390-L392 VanDerWaalsContact C-N 3.32Å; A390-L392 PolarHBondContact O-N 2.99Å; L392-F394 PolarHBondContact O-N 3.21Å; L392-A395 PolarHBondContact O-N 3.44Å; L392-I396 WeakPolarHBondContact O-CG1 3.14Å; L392-I396 PolarHBondContact O-N 3.36Å |
| 393 | T | 98.7 | Very high | 97.5 | Very high | 42 Ų | 42 | 24.8 Ų | 24.8 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -54.8 | -50.8 | 172.1 | -43.4 | 0 | 0 | 0 | 0 | 111.2 | Y231 L235 V389 A390 L391 A395 I396 W397 | Y231-T393 WeakPolarHBondContact OH-CB 3.22Å; Y231-T393 WeakPolarHBondContact OH-CG2 3.34Å; Y231-T393 PolarHBondContact OH-OG1 2.9Å; L235-T393 HydrophobicContact CD2-CG2 3.83Å; V389-T393 PolarHBondContact O-N 2.97Å; V389-T393 PolarHBondContact O-OG1 3.03Å; A390-T393 WeakPolarHBondContact CA-OG1 3.5Å; A390-T393 WeakPolarHBondContact O-CB 3.37Å; A390-T393 PolarHBondContact O-N 2.98Å; A390-T393 VanDerWaalsContact O-N 3.14Å; A390-T393 PolarHBondContact O-OG1 2.95Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.14Å; T393-A395 VanDerWaalsContact C-N 3.32Å; T393-A395 PolarHBondContact O-N 3.38Å; T393-I396 PolarHBondContact O-N 3.45Å; T393-W397 PolarHBondContact O-N 3.05Å |
| 394 | F | 98.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 26.6 Ų | 26.6 | 21% | 0.206 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | -179.5 | -69.8 | -61.6 | 0 | 0 | 0 | 111.5 | L356 L357 M360 A390 L391 L392 W397 V398 | L356-F394 HydrophobicContact CB-CD1 3.73Å; L356-F394 HydrophobicContact CB-CE1 3.64Å; L356-F394 HydrophobicContact CB-CG 4.38Å; L356-F394 HydrophobicContact CB-CZ 4.17Å; L356-F394 HydrophobicContact CD1-CE1 3.89Å; L356-F394 HydrophobicContact CG-CE1 4.33Å; L357-F394 HydrophobicContact CB-CB 3.9Å; L357-F394 HydrophobicContact CD1-CB 3.93Å; M360-F394 HydrophobicContact CB-CD2 3.77Å; M360-F394 HydrophobicContact CB-CE2 3.92Å; M360-F394 HydrophobicContact CG-CD2 3.97Å; M360-F394 HydrophobicContact CG-CE2 4.05Å; A390-F394 WeakPolarHBondContact O-CD2 3.48Å; A390-F394 PolarHBondContact O-N 3.27Å; L391-F394 PolarHBondContact O-N 3.3Å; L392-F394 PolarHBondContact O-N 3.21Å; F394-W397 AromaticContact CD1-CE3 3.87Å; F394-W397 HydrophobicContact CD1-CE3 3.87Å; F394-W397 HydrophobicContact CD1-CZ3 4.2Å; F394-W397 HydrophobicContact CE1-CE3 4.21Å; F394-W397 HydrophobicContact CE1-CZ3 4.15Å; F394-W397 PolarHBondContact O-N 3.11Å; F394-V398 WeakPolarHBondContact O-CG2 3.36Å; F394-V398 PolarHBondContact O-N 3.11Å |
| 395 | A | 98.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I268 L357 L391 L392 T393 W397 V398 L399 | I268-A395 HydrophobicContact CD1-CB 3.74Å; L357-A395 HydrophobicContact CD1-CB 4.15Å; L391-A395 PolarHBondContact O-N 3.15Å; L392-A395 PolarHBondContact O-N 3.44Å; T393-A395 VanDerWaalsContact C-N 3.32Å; T393-A395 PolarHBondContact O-N 3.38Å; A395-W397 VanDerWaalsContact C-N 3.33Å; A395-W397 PolarHBondContact O-N 3.27Å; A395-V398 PolarHBondContact O-N 3.16Å; A395-L399 WeakPolarHBondContact O-CG 3.36Å; A395-L399 PolarHBondContact O-N 3.28Å |
| 396 | I | 98.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 176.2 | -63.7 | -59.3 | 0 | 0 | 0 | 111.3 | C232 L235 W236 L239 L392 T393 L399 A400 | C232-I396 HydrophobicContact CB-CD1 4.11Å; C232-I396 HydrophobicContact CB-CG1 4.4Å; L235-I396 HydrophobicContact CB-CG2 4.39Å; L235-I396 HydrophobicContact CD2-CB 3.79Å; L235-I396 HydrophobicContact CD2-CG1 4.31Å; L235-I396 HydrophobicContact CD2-CG2 3.75Å; L235-I396 HydrophobicContact CG-CB 4.48Å; L235-I396 HydrophobicContact CG-CG2 3.89Å; W236-I396 HydrophobicContact CB-CG2 4.09Å; W236-I396 HydrophobicContact CE3-CG2 4.26Å; L239-I396 HydrophobicContact CD1-CG2 4.32Å; L392-I396 WeakPolarHBondContact O-CG1 3.14Å; L392-I396 PolarHBondContact O-N 3.36Å; T393-I396 PolarHBondContact O-N 3.45Å; I396-L399 HydrophobicContact CD1-CD1 4.36Å; I396-L399 PolarHBondContact O-N 2.74Å; I396-A400 WeakPolarHBondContact O-CB 3.4Å; I396-A400 PolarHBondContact O-N 2.85Å |
| 397 | W | 98.3 | Very high | 92 | Very high | 61 Ų | 61 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.2 | -178.1 | 20.6 | 0 | 0 | 0 | 112 | L239 I352 A353 L356 T393 F394 A395 L399 A400 E401 | L239-W397 HydrophobicContact CD1-CB 4.22Å; I352-W397 HydrophobicContact CG2-CH2 4.03Å; A353-W397 HydrophobicContact CB-CD2 3.67Å; A353-W397 HydrophobicContact CB-CE3 3.94Å; A353-W397 HydrophobicContact CB-CG 4.04Å; A353-W397 HydrophobicContact CB-CH2 4.46Å; A353-W397 HydrophobicContact CB-CZ2 4.23Å; A353-W397 HydrophobicContact CB-CZ3 4.33Å; L356-W397 HydrophobicContact CD1-CH2 4.18Å; L356-W397 HydrophobicContact CD1-CZ3 3.7Å; T393-W397 PolarHBondContact O-N 3.05Å; F394-W397 AromaticContact CD1-CE3 3.87Å; F394-W397 HydrophobicContact CD1-CE3 3.87Å; F394-W397 HydrophobicContact CD1-CZ3 4.2Å; F394-W397 HydrophobicContact CE1-CE3 4.21Å; F394-W397 HydrophobicContact CE1-CZ3 4.15Å; F394-W397 PolarHBondContact O-N 3.11Å; A395-W397 VanDerWaalsContact C-N 3.33Å; A395-W397 PolarHBondContact O-N 3.27Å; W397-L399 VanDerWaalsContact C-N 3.31Å; W397-L399 PolarHBondContact O-N 2.71Å; W397-A400 WeakPolarHBondContact O-CB 3.19Å; W397-A400 PolarHBondContact O-N 3.38Å; W397-A400 VanDerWaalsContact O-N 3.07Å; W397-E401 PolarHBondContact NE1-OE1 3.34Å; W397-E401 WeakPolarHBondContact O-CG 3.47Å; W397-E401 PolarHBondContact O-N 3.02Å |
| 398 | V | 98.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.5 | -47.9 | 173 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | A261 A353 I354 L357 F394 A395 A400 E401 L402 | A261-V398 HydrophobicContact CB-CG1 4.24Å; A353-V398 VanDerWaalsContact C-CG2 3.47Å; A353-V398 HydrophobicContact CB-CG2 3.74Å; I354-V398 HydrophobicContact CB-CG2 4.37Å; I354-V398 HydrophobicContact CD1-CG1 4.46Å; I354-V398 HydrophobicContact CG1-CB 4.42Å; I354-V398 HydrophobicContact CG1-CG1 3.78Å; I354-V398 HydrophobicContact CG1-CG2 3.73Å; L357-V398 HydrophobicContact CB-CG2 4.29Å; L357-V398 HydrophobicContact CD2-CG2 4.02Å; F394-V398 WeakPolarHBondContact O-CG2 3.36Å; F394-V398 PolarHBondContact O-N 3.11Å; A395-V398 PolarHBondContact O-N 3.16Å; V398-A400 VanDerWaalsContact C-N 3.28Å; V398-A400 PolarHBondContact O-N 3.18Å; V398-E401 PolarHBondContact O-N 3.38Å; V398-L402 HydrophobicContact CG1-CD1 3.77Å; V398-L402 HydrophobicContact CG1-CG 4.37Å; V398-L402 WeakPolarHBondContact O-CB 3.33Å; V398-L402 VanDerWaalsContact O-CG 3.3Å; V398-L402 WeakPolarHBondContact O-CG 3.2Å; V398-L402 PolarHBondContact O-N 2.76Å |
| 399 | L | 97.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 177.4 | -66.2 | 177.6 | 0 | 0 | 0 | 111.9 | W236 A261 K262 A395 I396 W397 E401 L402 R403 | W236-L399 HydrophobicContact CE3-CB 4.34Å; W236-L399 HydrophobicContact CH2-CB 4.41Å; W236-L399 VanDerWaalsContact CZ3-C 3.41Å; W236-L399 HydrophobicContact CZ3-CB 3.56Å; A261-L399 HydrophobicContact CB-CD2 3.79Å; K262-L399 HydrophobicContact CB-CD2 4.4Å; K262-L399 HydrophobicContact CG-CD2 3.72Å; A395-L399 WeakPolarHBondContact O-CG 3.36Å; A395-L399 PolarHBondContact O-N 3.28Å; I396-L399 HydrophobicContact CD1-CD1 4.36Å; I396-L399 PolarHBondContact O-N 2.74Å; W397-L399 VanDerWaalsContact C-N 3.31Å; W397-L399 PolarHBondContact O-N 2.71Å; L399-E401 VanDerWaalsContact C-N 3.35Å; L399-L402 PolarHBondContact O-N 3.06Å; L399-R403 PolarHBondContact O-N 3.23Å; L399-R403 VanDerWaalsContact O-N 3.09Å |
| 400 | A | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.1 | -33.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W236 L239 I396 W397 V398 R403 | W236-A400 HydrophobicContact CE3-CB 4.24Å; W236-A400 HydrophobicContact CZ3-CB 4.07Å; L239-A400 HydrophobicContact CB-CB 4.11Å; L239-A400 HydrophobicContact CD1-CB 4.21Å; I396-A400 WeakPolarHBondContact O-CB 3.4Å; I396-A400 PolarHBondContact O-N 2.85Å; W397-A400 WeakPolarHBondContact O-CB 3.19Å; W397-A400 PolarHBondContact O-N 3.38Å; W397-A400 VanDerWaalsContact O-N 3.07Å; V398-A400 VanDerWaalsContact C-N 3.28Å; V398-A400 PolarHBondContact O-N 3.18Å; A400-R403 VanDerWaalsContact O-CD 3.32Å; A400-R403 WeakPolarHBondContact O-CD 3.3Å; A400-R403 VanDerWaalsContact O-CG 3.26Å; A400-R403 WeakPolarHBondContact O-CG 3.39Å; A400-R403 PolarHBondContact O-NH1 3.41Å |
| 401 | E | 95.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.2 | -34.6 | 173.7 | -68.3 | -65.1 | 169.9 | 0 | 0 | 112.2 | H246 R349 A350 W397 V398 L399 R403 | H246-E401 IonicContact CE1-OE2 3.5Å; H246-E401 PolarHBondContact CE1-OE2 2.92Å; H246-E401 IonicContact ND1-OE2 3.83Å; H246-E401 PolarHBondContact ND1-OE2 3.03Å; R349-E401 WeakPolarHBondContact CB-OE1 3.41Å; R349-E401 IonicContact CZ-OE1 3.13Å; R349-E401 IonicContact CZ-OE2 3.54Å; R349-E401 IonicContact NE-OE1 2.69Å; R349-E401 IonicContact NE-OE2 3.51Å; R349-E401 IonicContact NH1-OE1 2.64Å; R349-E401 PolarHBondContact NH1-OE1 3.47Å; R349-E401 IonicContact NH1-OE2 2.82Å; R349-E401 PolarHBondContact NH1-OE2 3.25Å; R349-E401 IonicContact NH2-OE2 3.64Å; A350-E401 HydrophobicContact CB-CB 3.94Å; W397-E401 PolarHBondContact NE1-OE1 3.34Å; W397-E401 WeakPolarHBondContact O-CG 3.47Å; W397-E401 PolarHBondContact O-N 3.02Å; V398-E401 PolarHBondContact O-N 3.38Å; L399-E401 VanDerWaalsContact C-N 3.35Å; E401-R403 VanDerWaalsContact C-N 3.33Å |
| 402 | L | 94.4 | Very high | 90 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -85.1 | -1.5 | -179.5 | -65.9 | -179.7 | 0 | 0 | 0 | 114.1 | L257 R258 A261 L346 A350 V398 L399 | L257-L402 HydrophobicContact CD2-CD1 4.07Å; L257-L402 HydrophobicContact CD2-CD2 3.79Å; L257-L402 HydrophobicContact CG-CD1 4.01Å; R258-L402 HydrophobicContact CG-CB 4.3Å; R258-L402 PolarHBondContact NE-O 3.48Å; A261-L402 HydrophobicContact CB-CD1 3.92Å; L346-L402 HydrophobicContact CD2-CD2 4.36Å; A350-L402 HydrophobicContact CB-CD2 4.45Å; V398-L402 HydrophobicContact CG1-CD1 3.77Å; V398-L402 HydrophobicContact CG1-CG 4.37Å; V398-L402 WeakPolarHBondContact O-CB 3.33Å; V398-L402 VanDerWaalsContact O-CG 3.3Å; V398-L402 WeakPolarHBondContact O-CG 3.2Å; V398-L402 PolarHBondContact O-N 2.76Å; L399-L402 PolarHBondContact O-N 3.06Å |
| 403 | R | 92.6 | Very high | 89.4 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 15% | 0.151 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 151.3 | -174.9 | 77.6 | -174.4 | -174.1 | -111.8 | 10.9 | 112.7 | W236 T240 L243 A245 L399 A400 E401 | W236-R403 HydrophobicContact CH2-CB 4.08Å; T240-R403 PolarHBondContact O-NH2 3.25Å; L243-R403 PolarHBondContact O-NH2 3.06Å; A245-R403 HydrophobicContact CB-CG 4.33Å; L399-R403 PolarHBondContact O-N 3.23Å; L399-R403 VanDerWaalsContact O-N 3.09Å; A400-R403 VanDerWaalsContact O-CD 3.32Å; A400-R403 WeakPolarHBondContact O-CD 3.3Å; A400-R403 VanDerWaalsContact O-CG 3.26Å; A400-R403 WeakPolarHBondContact O-CG 3.39Å; A400-R403 PolarHBondContact O-NH1 3.41Å; E401-R403 VanDerWaalsContact C-N 3.33Å |
| 404 | K | 84.6 | Confident | 88.7 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 47% | 0.47 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 142.3 | 173.4 | -161.5 | 172.2 | -177.4 | 159.6 | 0 | 109.4 | D250 | D250-K404 IonicContact OD1-NZ 3.92Å; D250-K404 WeakPolarHBondContact OD2-CE 3.41Å; D250-K404 IonicContact OD2-NZ 2.71Å; D250-K404 PolarHBondContact OD2-NZ 2.76Å |
| 405 | M | 75.4 | Confident | 88 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 44% | 0.438 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -62 | 134.8 | 166.6 | -73.2 | -70.5 | -68.9 | 0 | 0 | 108.8 | A245 K407 | A245-M405 HydrophobicContact CB-CG 4.3Å; A245-M405 HydrophobicContact CB-SD 3.22Å; A245-M405 WeakPolarHBondContact CB-SD 3.25Å; M405-K407 PolarHBondContact O-N 3.38Å |
| 406 | P | 63.5 | Low | 87.1 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 136 | 163.1 | -17.3 | 29.7 | 0 | 0 | 0 | 108.4 | ||
| 407 | K | 50.4 | Low | 86 | Confident | 262 Ų | 262 | 64.5 Ų | 64.5 | 100% | 1.139 | 31% | 0.305 | S | S | * | . | trans | -68.7 | 0 | 172.9 | -78.9 | -171.6 | 175.1 | -174 | 0 | 110.3 | M405 | M405-K407 PolarHBondContact O-N 3.38Š|
Retrieved 407 of 407 residues in 83.3 ms
(Link to these results)